(3S,3aS,5aS,6R,9aS,9bS)-Dodecahydro-3-hydroxy-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid

CAS Registry Number®

1759-35-9
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CAS Name

(3S,3aS,5aS,6R,9aS,9bS)-Dodecahydro-3-hydroxy-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid

Molecular Formula

C18H28O4

Molecular Mass

308.41

Cite this Page

(3S,3aS,5aS,6R,9aS,9bS)-Dodecahydro-3-hydroxy-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1759-35-9 (retrieved 2024-07-06) (CAS RN: 1759-35-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-179 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H28O4/c1-17-9-7-13-11(12(17)4-6-15(17)20)3-5-14(19)18(13,2)10-8-16(21)22/h11-13,15,20H,3-10H2,1-2H3,(H,21,22)/t11-,12-,13-,15-,17-,18+/m0/s1

InChIKey

InChIKey=COGRAKQBTBRYQC-HHJOSPGFSA-N

SMILES

C(CC(O)=O)[C@]1(C)[C@@]2([C@]([C@]3([C@](C)(CC2)[C@@H](O)CC3)[H])(CCC1=O)[H])[H]

Canonical SMILES

O=C(O)CCC1(C(=O)CCC2C1CCC3(C)C(O)CCC23)C

Other Names for this Substance

  • 1H-Benz[e]indene-6-propanoic acid, dodecahydro-3-hydroxy-3a,6-dimethyl-7-oxo-, (3S,3aS,5aS,6R,9aS,9bS)-
  • 3,5-Seco-A-norandrostan-3-oic acid, 17β-hydroxy-5-oxo-
  • 1H-Benz[e]indene-6-propanoic acid, dodecahydro-3-hydroxy-3a,6-dimethyl-7-oxo-, [3S-(3α,3aα,5aβ,6β,9aα,9bβ)]-
  • (3S,3aS,5aS,6R,9aS,9bS)-Dodecahydro-3-hydroxy-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid
  • 3,5-Seco-A-norandrostan-17β-ol-5-on-3-oic acid

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Deleted or Replaced CAS Registry Numbers

18764-55-1