(3β,4α,16α,21β,22α)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al

CAS Registry Number®

15399-41-4
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CAS Name

(3β,4α,16α,21β,22α)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al

Molecular Formula

C30H48O6

Molecular Mass

504.70

Cite this Page

(3β,4α,16α,21β,22α)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15399-41-4 (retrieved 2024-09-19) (CAS RN: 15399-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237.5-239 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PADNECYMNLPKRN-HAIONMGCSA-N

SMILES

C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)C(O)C(O)C5(CO)C(O)CC43C

Other Names for this Substance

  • Olean-12-en-23-al, 3,16,21,22,28-pentahydroxy-, (3β,4α,16α,21β,22α)-
  • Olean-12-en-23-al, 3β,16α,21β,22α,28-pentahydroxy-
  • (3β,4α,16α,21β,22α)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al
  • Camelliagenin E
  • Theasapogenol E

Deleted or Replaced CAS Registry Numbers

92951-03-6