Dolicholide
CAS Registry Number®
85228-11-1
CAS Name
DolicholideMolecular Formula
C28H46O6Molecular Mass
478.66Cite this Page
Dolicholide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85228-11-1 (retrieved ) (CAS RN: 85228-11-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3/t16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKey
InChIKey=PPFRJNLKWADOTL-WOGJWQOOSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](C(=O)OC3)(C[C@H](O)[C@H](O)C4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([C@H]([C@@H](C(C(C)C)=C)O)O)C)[H])[H]
Canonical SMILES
O=C1OCC2C3CCC(C(C)C(O)C(O)C(=C)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14
Other Names for this Substance
- 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R)-2,3-dihydroxy-1,5-dimethyl-4-methylenehexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
- B-Homo-7-oxaergost-24(28)-en-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)-
- (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R)-2,3-Dihydroxy-1,5-dimethyl-4-methylenehexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one
- Dolicholide
- 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,5-dimethyl-4-methylenehexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1α(1S*,2R*,3R*),3aβ,3bα,6aβ,8β,9β,10aα,10bβ,12aα]]-