(3α,4β,6β)-3,5,6,23-Tetrahydroxyurs-12-en-28-oic acid

CAS Registry Number®

22882-19-5
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CAS Name

(3α,4β,6β)-3,5,6,23-Tetrahydroxyurs-12-en-28-oic acid

Molecular Formula

C30H48O6

Molecular Mass

504.70

Cite this Page

(3α,4β,6β)-3,5,6,23-Tetrahydroxyurs-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22882-19-5 (retrieved 2024-09-19) (CAS RN: 22882-19-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O6/c1-17-9-12-29(24(34)35)14-13-25(3)19(23(29)18(17)2)7-8-20-26(4)11-10-21(32)28(6,16-31)30(26,36)22(33)15-27(20,25)5/h7,17-18,20-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,25-,26-,27-,28+,29+,30+/m1/s1

InChIKey

InChIKey=BMPKVVLYKVNDQD-XATXDTAZSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](O)([C@H](O)C2)[C@](CO)(C)[C@H](O)CC5)[H]

Canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(CO)C5(O)C(O)CC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,5,6,23-tetrahydroxy-, (3α,4β,6β)-
  • Urs-12-en-28-oic acid, 3α,5,6β,24-tetrahydroxy-
  • (3α,4β,6β)-3,5,6,23-Tetrahydroxyurs-12-en-28-oic acid
  • Isothankunic acid