(3β)-3-(Sulfooxy)oleana-11,13(18)-dien-28-oic acid

CAS Registry Number®

1318005-60-5

CAS Name

(3β)-3-(Sulfooxy)oleana-11,13(18)-dien-28-oic acid

Molecular Formula

C30H46O6S

Molecular Mass

534.75

Cite this Page

(3β)-3-(Sulfooxy)oleana-11,13(18)-dien-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1318005-60-5 (retrieved 2024-11-22) (CAS RN: 1318005-60-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=NXFKKVRHIZTYMJ-HLYSYWIOSA-N

SMILES

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

Canonical SMILES

O=C(O)C12C(=C3C=CC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC4(C)C3(C)CC1)CC(C)(C)CC2

Other Names for this Substance

  • Oleana-11,13(18)-dien-28-oic acid, 3-(sulfooxy)-, (3β)-
  • (3β)-3-(Sulfooxy)oleana-11,13(18)-dien-28-oic acid
  • Fatsicarpain B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration