Primary Record
Simplexin
- In stock
- 3,684 g
- Purity
- 98.3 %
- CAS
- 1404-62-2
Compound Identifiers & Properties
- CAS
- 1404-62-2
- PubChem CID
- 442086
- SMILES
- CCCCCCCCCC12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
- Canonical SMILES
- C=C(C)[C@]12C[C@@H](C)[C@@]34OC(CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2
Names & Synonyms
- Simplexin
- Wikstrotoxin D
- Pimelea factor P1
- UNII-9QZ71FI0LO
- AC1L9C8B
- CCRIS 707
- DTXSID90930781
- CID442086
- C30-H44-O8
- BRN 1673551
- J2.460.485C
- C09185
- Q27104990
- dihydroxy-(hydroxymethyl)-isopropenyl-dimethyl-nonyl-[?]one
- 1404-62-2
- (1R,2R,6S,7S,8R,10S,11S,12R,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
- (1R,2R,6S,7S,8R,10S,11S,12R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
- (3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10aR)-5,5a-Dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-nonyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-2H,6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-6-one
- 5,5a-Dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-nonyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-2H,6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-6-one
- 7beta,8beta,10abeta-[(Decane-1,1,1-triyl)trisoxy]-3,3a,4,5,6,6aalpha,7,8,9,10,10a,10bbeta-dodecahydro-2,10beta-dimethyl-3-oxo-3aalpha,4alpha-dihydroxy-5-(hydroxymethyl)-5beta,6beta-epoxy-8alpha-(1-methylethenyl)benzo[e]azulene