Benzo[3,4]-18-norpregna-3,5,17(20)-triene-3(2′H)-carboxylic acid, 3′,4′,5′,6′-tetrahydro-4′,4′,9,14,20-pentamethyl-, methyl ester, (3β,4β,8α,9β,10α,13α,14β)-

CAS Registry Number®

1724-18-1
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CAS Name

Benzo[3,4]-18-norpregna-3,5,17(20)-triene-3(2′H)-carboxylic acid, 3′,4′,5′,6′-tetrahydro-4′,4′,9,14,20-pentamethyl-, methyl ester, (3β,4β,8α,9β,10α,13α,14β)-

Molecular Formula

C31H48O2

Molecular Mass

452.71

Cite this Page

Benzo[3,4]-18-norpregna-3,5,17(20)-triene-3(2′H)-carboxylic acid, 3′,4′,5′,6′-tetrahydro-4′,4′,9,14,20-pentamethyl-, methyl ester, (3β,4β,8α,9β,10α,13α,14β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1724-18-1 (retrieved 2024-09-07) (CAS RN: 1724-18-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H48O2/c1-20(2)21-11-13-28(5)22(21)12-14-30(7)25(28)10-9-23-24-19-27(3,4)15-17-31(24,26(32)33-8)18-16-29(23,30)6/h9,22,24-25H,10-19H2,1-8H3/t22-,24-,25+,28-,29+,30+,31-/m0/s1

InChIKey

InChIKey=IOPWKRLDGMBGCA-BUESHWSCSA-N

SMILES

C(OC)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(=C(C)C)CC5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=C(OC)C12CCC3(C(=CCC4C5(C)CCC(=C(C)C)C5CCC43C)C2CC(C)(C)CC1)C

Other Names for this Substance

  • Benzo[3,4]-18-norpregna-3,5,17(20)-triene-3(2′H)-carboxylic acid, 3′,4′,5′,6′-tetrahydro-4′,4′,9,14,20-pentamethyl-, methyl ester, (3β,4β,8α,9β,10α,13α,14β)-
  • A-Neooleana-3,12-dien-28-oic acid, methyl ester
  • 1H-Cyclopenta[a]chrysene, A-neooleana-3,12-dien-20-oic acid deriv.