(3S,3aR,4aS,6aS,9aS,9bS)-Decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-7-oxo-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid

CAS Registry Number®

659738-09-7

CAS Name

(3S,3aR,4aS,6aS,9aS,9bS)-Decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-7-oxo-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid

Molecular Formula

C22H32O3

Molecular Mass

344.49

Cite this Page

(3S,3aR,4aS,6aS,9aS,9bS)-Decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-7-oxo-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=659738-09-7 (retrieved 2024-11-08) (CAS RN: 659738-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H32O3/c1-14(2)15-5-6-16-19(3)9-7-17(23)20(19,4)11-12-22(16)13-21(15,22)10-8-18(24)25/h15-16H,1,5-13H2,2-4H3,(H,24,25)/t15-,16-,19-,20+,21+,22-/m0/s1

InChIKey

InChIKey=YMWZSNQZURFZMX-RHSMJXSCSA-N

SMILES

C(CC(O)=O)[C@]12[C@]3([C@]([C@@]4(C)[C@](C)(CC3)C(=O)CC4)(CC[C@H]1C(C)=C)[H])C2

Canonical SMILES

O=C(O)CCC12CC32CCC4(C(=O)CCC4(C)C3CCC1C(=C)C)C

Other Names for this Substance

  • 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-7-oxo-, (3S,3aR,4aS,6aS,9aS,9bS)-
  • (3S,3aR,4aS,6aS,9aS,9bS)-Decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-7-oxo-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
  • Micranoic acid B

CAS INSIGHTSTM
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