(6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,4-heptanediol

CAS Registry Number®

77733-16-5
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CAS Name

(6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,4-heptanediol

Molecular Formula

C27H44O3

Molecular Mass

416.64

Cite this Page

(6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,4-heptanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77733-16-5 (retrieved 2024-05-03) (CAS RN: 77733-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23?,24-,25+,27-/m1/s1

InChIKey

InChIKey=JVBPQHSRTHJMLM-KROKRKHLSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)CC[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CC(CC(C)(C)O)O)C)[H])[H]

Canonical SMILES

OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CC(O)CC(O)(C)C)C(=C)CC1

Other Names for this Substance

  • 2,4-Heptanediol, 2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-, (6R)-
  • 9,10-Secocholesta-5,7,10(19)-triene-3,23,25-triol, (3β,5Z,7E)-
  • (6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,4-heptanediol

Deleted or Replaced CAS Registry Numbers

99518-44-2

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