Methyl corosolate

CAS Registry Number®

4518-70-1

CAS Name

Methyl corosolate

Molecular Formula

C31H50O4

Molecular Mass

486.73

Cite this Page

Methyl corosolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4518-70-1 (retrieved 2024-12-23) (CAS RN: 4518-70-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211-213 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1

InChIKey

InChIKey=BRZWXKGDPAZBLF-OKUTUCSLSA-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@@H](O)[C@H](O)C5)[H])[H])([C@@H](C)[C@H](C)CC2)[H]

Canonical SMILES

O=C(OC)C12CCC(C)C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 2,3-dihydroxy-, methyl ester, (2α,3β)-
  • Urs-12-en-28-oic acid, 2α,3β-dihydroxy-, methyl ester
  • Methyl 2α-hydroxyursolate
  • 2α-Hydroxyursolic acid methyl ester
  • Methyl corosolate

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