(3β,12β,13S)-1′,12-Dihydro-3-hydroxycyclopropa[12,13]-27-norolean-14-en-28-oic acid

CAS Registry Number®

203511-36-8
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CAS Name

(3β,12β,13S)-1′,12-Dihydro-3-hydroxycyclopropa[12,13]-27-norolean-14-en-28-oic acid

Molecular Formula

C30H46O3

Molecular Mass

454.68

Cite this Page

(3β,12β,13S)-1′,12-Dihydro-3-hydroxycyclopropa[12,13]-27-norolean-14-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=203511-36-8 (retrieved 2024-09-16) (CAS RN: 203511-36-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    310-312 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O3/c1-25(2)13-14-29(24(32)33)12-8-20-28(6)10-7-19-26(3,4)23(31)9-11-27(19,5)21(28)15-18-16-30(18,20)22(29)17-25/h8,18-19,21-23,31H,7,9-17H2,1-6H3,(H,32,33)/t18-,19+,21-,22-,23+,27+,28+,29-,30-/m1/s1

InChIKey

InChIKey=ZVTPITMTNGHPJR-ZJKBQLIWSA-N

SMILES

C[C@]12C=3[C@@]4([C@@](C4)(C[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O)CC5)[H])[H])[H])[C@]6([C@@](C(O)=O)(CC3)CCC(C)(C)C6)[H]

Canonical SMILES

O=C(O)C12CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC6CC36C2CC(C)(C)CC1

Other Names for this Substance

  • Cyclopropa[12,13]-27-norolean-14-en-28-oic acid, 1′,12-dihydro-3-hydroxy-, (3β,12β,13S)-
  • (3β,12β,13S)-1′,12-Dihydro-3-hydroxycyclopropa[12,13]-27-norolean-14-en-28-oic acid
  • Mudanpinoic acid A