Chemical Compound
(1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
CAS Registry Number
29803-94-9
Primary record
(1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
- 库存
- 4,238 克
- 纯度
- 98.8 %
- CAS
- 29803-94-9
化合物标识与属性
- CAS
- 29803-94-9
- PubChem CID
- 6441519
- SMILES
- C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
- Canonical SMILES
- CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
名称与同义词
- Cucurbitacine I glucoside
- Cucurbitacine-I-glucoside
- AC1O5VGB
- RefChem:1082322
- Compound NP-002365
- cucurbitacin I 2-O-beta-D-glucopyranoside
- CHEBI:68917
- beta-Glucoside de LA cucurbitacine (I)
- orb3029208
- CHEMBL1765380
- ACon1_002046
- 29803-94-9
- C36H52O12
- ZINC67902915
- AKOS040735120
- 2-O-|A-D-Glucopyranosylcucurbitacin I
- CID6441519
- 2-O-beta-D-Glucopyranosylcucurbitacin I
- C36-H52-O12
- NCGC00179885-01
- NCGC00179885-03
- J86.688A
- LS-97300
- Cucurbitacin I-2-O-beta-D-glucopyranoside
- NS00094063
- J2.416.557D
- A967813
- BRD-K10934705-001-01-9
- Q27137272
- (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
- 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16,20,25-trihydroxy-
- (10alpha,23E)-2-(beta-D-Glucopyranosyloxy)-16alpha,20,25-trihydroxy-9beta-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
- (1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
- (1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
- (4R,9beta,16alpha,23E)-16,20,25-trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-2-yl beta-D-glucopyranoside
- (8S,9R,10R,13R,14S,16R,17R)-17-((E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-16-hydroxy-4,4,9,13,14-pentamethyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta(a)phenanthrene-3,11-dione
- (9beta,10alpha,23E)-2-(beta-D-Glucopyranosyloxy)-9-methyl-16alpha,20,25-trihydroxy-19-norlanosta-1,5,23-triene-3,11,22-trione
- 16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-2-yl hexopyranoside
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2-(.beta.-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-
- 19-Norlanosta-1,5,23-triene-3,11,22-trione,2-(b-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-,(9b,10a,16a,23E)-
- 2-(beta-D-Glucopyranosyloxy)-16alpha,20,25-trihydroxycucurbita-1,5,23-triene-3,11,22-trione
- 6,8-DIHYDROXY-2,2,4,4-TETRAMETHYL-7-(3-METHYLBUTANOYL)-9-(2-METHYLPROPYL)-9H-XANTHENE-1,3-DIONE