Chemical Compound

(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

CAS Registry Number 113082-99-8
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(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol 结构式
Primary record

(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

库存
2,968 克
纯度
98.7 %
CAS
113082-99-8

化合物标识与属性

CAS
113082-99-8
PubChem CID
9801803
SMILES
C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C
Canonical SMILES
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O

名称与同义词

  • Calcipotriol
  • Calcipotriol Impurity C
  • (5E)-Calcipotriol
  • calcipotriene
  • (5E)-Calcipotriene
  • 5,6-trans-Calcipotriol
  • Calciptriol
  • Calcitrene
  • Daivonex
  • Psorcutan
  • Dovonex
  • Sorilux
  • Calcipotriol, (5E)-
  • 113082-99-8
  • Calcipotriol EP Impurity C
  • Calcipotriene [USAN]
  • 5,6 Trans-Calcipotriol
  • PRI 2205
  • RefChem:573339
  • QRA3492A7Q
  • UNII-QRA3492A7Q
  • PRI-2205
  • Calcipotriene Related Compound C
  • CHEMBL4796961
  • BIDD:GT0282
  • CCRIS 7700
  • orb1708029
  • SCHEMBL2131847
  • CS-M0059
  • DTXCID8026648
  • DTXSID0046648
  • UNII-143NQ3779B
  • Calcipotriol, anhydrous impurity C [EP]
  • LWQQLNNNIPYSNX-GMGGYIQASA-N
  • Calcipotriol, anhydrous impurity C
  • DTXSID601098903
  • Calcipotriol Impurity C (Standard)
  • C27H40O3
  • PRI 2201
  • Tox21_112469
  • BDBM50566094
  • HY-75035R
  • MC 903
  • ZINC77285174
  • AKOS024457248
  • Tox21_112469_1
  • C27-H40-O3
  • CID9801803
  • IC19633
  • CALCIPOTRIOL IMPURITY C [EP IMPURITY]
  • NCGC00167465-01
  • NCGC00167465-02
  • NCGC00167465-07
  • NCGC00167465-14
  • AC-31104
  • Calcipotriol, anhydrous specified impurity C [EP]
  • DA-71872
  • HY-75035
  • MS-27133
  • Calcipotriol, anhydrous specified impurity C
  • CALCIPOTRIENE RELATED COMPOUND C [USP-RS]
  • CALCIPOTRIOL IMPURITY C (EP IMPURITY)
  • CAS-112965-21-6
  • CS-0005984
  • 112965-21-6
  • F85588
  • CALCIPOTRIENE RELATED COMPOUND C [USP IMPURITY]
  • A907396
  • CALCIPOTRIENE RELATED COMPOUND C (USP-RS)
  • F556385
  • F600469
  • BRD-K56429665-001-03-9
  • CALCIPOTRIENE RELATED COMPOUND C (USP IMPURITY)
  • Q27287462
  • (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 1,3-Cyclohexanediol, 5-((2E)-2-((1R,3aS,7aR)-1-((1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3S,5E)-
  • 910133-70-9
  • CALCIPOTRIOL MONOHYDRATE IMPURITY C [EP IMPURITY]
  • B0503-467979
  • (1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
  • (1S,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • (5E,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
  • 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5E,7E,22E,24S)-
  • 5-Bromo-2-((tert-butyldimethylsilyloxy)methyl)-3-methoxypyridine
  • (1R,3S,5E)-5-(2-((1R,3AS,4E,7aR)-1-((2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
  • (5E,7E,22E,24S)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1.ALPHA.,3.BETA.,24-TRIOL
  • 9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5E,7E,22E,24S)-
  • (1-alpha,3-beta,5Z,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol
  • (1|A,3|A,5E,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol
  • (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1S,3S,5E)-5-((2E)-2-((1R,3aS,7aR)-1-((1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-1,3-cyclohexanediol
  • (1S,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-yliden e]ethylidene]-4-methylene-1,3-cyclohexanediol
  • (1S,3S,E)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
  • (5E,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1a,3ss,24-triol; (5E)-calcipotriol); Calcipotriol Imp. C (EP)
  • (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3S,5E)-
  • 688-307-1