α-Elemolic acid

CAS Registry Number®

28282-27-1

CAS Name

α-Elemolic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

α-Elemolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28282-27-1 (retrieved 2024-11-21) (CAS RN: 28282-27-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-219 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1

InChIKey

InChIKey=NBSBUIQBEPROBM-IMJUUJEHSA-N

SMILES

C[C@@]12C3=C([C@]4(C)[C@@](CC3)(C(C)(C)[C@H](O)CC4)[H])CC[C@@]1(C)[C@]([C@H](CCC=C(C)C)C(O)=O)(CC2)[H]

Canonical SMILES

O=C(O)C(CCC=C(C)C)C1CCC2(C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3)C

Other Names for this Substance

  • Lanosta-8,24-dien-21-oic acid, 3-hydroxy-, (3α,13α,14β,17α,20S)-
  • 13α,14β,17βH-Lanosta-8,24-dien-21-oic acid, 3α-hydroxy-, (20S)-
  • (3α,13α,14β,17α,20S)-3-Hydroxylanosta-8,24-dien-21-oic acid
  • 3-Hydroxytirucallic acid
  • 3α-Hydroxytirucalla-8,24-dien-21-oic acid

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