Methyl (5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate

CAS Registry Number®

98665-10-2

CAS Name

Methyl (5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate

Molecular Formula

C28H38O6

Molecular Mass

470.60

Cite this Page

Methyl (5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98665-10-2 (retrieved 2025-02-26) (CAS RN: 98665-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H38O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-16,19H,8-14H2,1-7H3/t15-,16-,19+,26+,27-,28+/m1/s1

InChIKey

InChIKey=ZXYSCJISDAKHPX-IRFVERNZSA-N

SMILES

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

Canonical SMILES

O=C(OC)CCC(C)C1CC(=O)C2(C=3C(=O)CC4C(C(=O)CCC4(C3C(=O)CC12C)C)(C)C)C

Other Names for this Substance

  • Chol-8-en-24-oic acid, 4,4,14-trimethyl-3,7,11,15-tetraoxo-, methyl ester, (5α)-
  • Methyl (5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate
  • Methyl lucidenate F
  • (+)-Methyl lucidenate F
  • Lucidenic acid F methyl ester

CAS INSIGHTSTM
Samples on a microarray, illustration