(2α,3β,4β)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid

CAS Registry Number®

53527-49-4
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CAS Name

(2α,3β,4β)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid

Molecular Formula

C30H46O7

Molecular Mass

518.68

Cite this Page

(2α,3β,4β)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53527-49-4 (retrieved 2024-05-19) (CAS RN: 53527-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1

InChIKey

InChIKey=FYGSMJAMPMZYFS-NQVBXAEWSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@](C(O)=O)(C)[C@@H](O)[C@H](O)C5)[H])[H])([C@](C)(O)[C@H](C)CC2)[H]

Canonical SMILES

O=C(O)C1(C)C(O)C(O)CC2(C)C1CCC3(C)C2CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC43C

Other Names for this Substance

  • Urs-12-ene-23,28-dioic acid, 2,3,19-trihydroxy-, (2α,3β,4β)-
  • (2α,3β,4β)-2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid
  • Corosin
  • Trachelosperogenin A
  • Vismiaefolic acid

View All

Deleted or Replaced CAS Registry Numbers

11091-39-7

CAS INSIGHTSTM
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