Pregnane-20-carboxylic acid, 3,16,20-trihydroxy-, γ-lactone, (3β,5α,16β,20S)-

CAS Registry Number®

110612-29-8

CAS Name

Pregnane-20-carboxylic acid, 3,16,20-trihydroxy-, γ-lactone, (3β,5α,16β,20S)-

Molecular Formula

C22H34O4

Molecular Mass

362.50

Cite this Page

Pregnane-20-carboxylic acid, 3,16,20-trihydroxy-, γ-lactone, (3β,5α,16β,20S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110612-29-8 (retrieved 2024-11-08) (CAS RN: 110612-29-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17-,18-,20-,21-,22-/m0/s1

InChIKey

InChIKey=OCPGSVYCKLXPSO-RYKLGWBPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])[H])[H])(C[C@]5([C@@]2([C@](C)(O)C(=O)O5)[H])[H])[H]

Canonical SMILES

O=C1OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1(O)C

Other Names for this Substance

  • Pregnane-20-carboxylic acid, 3,16,20-trihydroxy-, γ-lactone, (3β,5α,16β,20S)-
  • 8H-Naphth[2′,1′:4,5]indeno[2,1-b]furan, pregnane-20-carboxylic acid deriv.
  • Lycopersiconolide

CAS INSIGHTSTM
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