(1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one

CAS Registry Number®

144071-55-6
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CAS Name

(1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one

Molecular Formula

C28H48O5

Molecular Mass

464.68

Cite this Page

(1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144071-55-6 (retrieved 2024-09-19) (CAS RN: 144071-55-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1

InChIKey

InChIKey=LLFIMDUWAVPJEJ-AVWWTISCSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)(CC4)[H])[H])(COC(=O)[C@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C1OCC2C3CCC(C(C)C(O)C(O)C(C)C(C)C)C3(C)CCC2C4(C)CCC(O)CC14

Other Names for this Substance

  • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-
  • B-Homo-7-oxaergostan-6-one, 3,22,23-trihydroxy-, (3α,5α,22R,23R,24S)-
  • 6H-Benz[c]indeno[5,4-e]oxepin, B-homo-7-oxaergostan-6-one deriv.
  • (1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one