(2β,3β,4α,6β)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid

CAS Registry Number®

37905-13-8
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CAS Name

(2β,3β,4α,6β)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid

Molecular Formula

C30H48O6

Molecular Mass

504.70

Cite this Page

(2β,3β,4α,6β)-2,3,6,23-Tetrahydroxyolean-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=37905-13-8 (retrieved 2024-05-21) (CAS RN: 37905-13-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    354-356 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20-,21+,22+,23-,26+,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=IDQVFXZQPGAVAM-YPRSBIJBSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@]([C@H](O)C1)([C@@](CO)(C)[C@@H](O)[C@@H](O)C3)[H])(CC=C4[C@@]2(C)CC[C@]5(C(O)=O)[C@]4(CC(C)(C)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2β,3β,4α,6β)-
  • (2β,3β,4α,6β)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid
  • Protobassic acid

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