Homodolicholide

CAS Registry Number®

86630-40-2
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CAS Name

Homodolicholide

Molecular Formula

C29H48O6

Molecular Mass

492.69

Cite this Page

Homodolicholide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86630-40-2 (retrieved 2024-09-20) (CAS RN: 86630-40-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+/t16-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1

InChIKey

InChIKey=LRRBQWHWKJDDAW-OXMALERUSA-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/C)O)O)C)[H])[H]

Canonical SMILES

O=C1OCC2C3CCC(C(C)C(O)C(O)C(=CC)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,4E)-2,3-dihydroxy-1-methyl-4-(1-methylethyl)-4-hexen-1-yl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
  • B-Homo-7-oxastigmast-24(28)-en-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R,24E)-
  • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4E)-2,3-dihydroxy-1-methyl-4-(1-methylethyl)-4-hexenyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
  • (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4E)-2,3-Dihydroxy-1-methyl-4-(1-methylethyl)-4-hexen-1-yl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one
  • Homodolicholide

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