(3S,3aR,4aS,6aR,7R,9aS,9bS)-Decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexen-1-yl]-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid

CAS Registry Number®

212830-20-1
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CAS Name

(3S,3aR,4aS,6aR,7R,9aS,9bS)-Decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexen-1-yl]-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid

Molecular Formula

C31H48O4

Molecular Mass

484.71

Cite this Page

(3S,3aR,4aS,6aR,7R,9aS,9bS)-Decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexen-1-yl]-6a,9a-dimethyl-3-(1-methylethenyl)-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=212830-20-1 (retrieved 2024-09-21) (CAS RN: 212830-20-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(34)35-7)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)33/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,32,33)/b22-10-/t21-,23+,24-,25+,28-,29+,30-,31+/m1/s1

InChIKey

InChIKey=IVXMRCQSVUIHRC-YAPQMYKGSA-N

SMILES

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

Canonical SMILES

O=C(OC)C(=CCCC(C)C1CCC2(C)C3CCC(C(=C)C)C4(CCC(=O)O)CC34CCC12C)C

Other Names for this Substance

  • 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexen-1-yl]-6a,9a-dimethyl-3-(1-methylethenyl)-, (3S,3aR,4aS,6aR,7R,9aS,9bS)-
  • 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexenyl]-6a,9a-dimethyl-3-(1-methylethenyl)-, (3S,3aR,4aS,6aR,7R,9aS,9bS)-
  • (3S,3aR,4aS,6aR,7R,9aS,9bS)-Decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexen-1-yl]-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid