Lantadene B

CAS Registry Number®

467-82-3

CAS Name

Lantadene B

Molecular Formula

C35H52O5

Molecular Mass

552.78

Cite this Page

Lantadene B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=467-82-3 (retrieved 2024-11-22) (CAS RN: 467-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H52O5/c1-21(2)18-28(37)40-27-20-30(3,4)19-23-22-10-11-25-32(7)14-13-26(36)31(5,6)24(32)12-15-34(25,9)33(22,8)16-17-35(23,27)29(38)39/h10,18,23-25,27H,11-17,19-20H2,1-9H3,(H,38,39)/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1

InChIKey

InChIKey=VYPAPFHUHDWCBI-QQAPFUPGSA-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)(C)C(=O)CC5)[H])[H])(CC(C)(C)C[C@H]2OC(C=C(C)C)=O)[H]

Canonical SMILES

O=C(OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC12C(=O)O)C=C(C)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 22-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3-oxo-, (22β)-
  • Olean-12-en-28-oic acid, 22-hydroxy-3-oxo-, 3-methylcrotonate
  • Olean-12-en-28-oic acid, 22-[(3-methyl-1-oxo-2-butenyl)oxy]-3-oxo-, (22β)-
  • Lantadene B
  • (22β)-22-[(3-Methyl-1-oxo-2-buten-1-yl)oxy]-3-oxoolean-12-en-28-oic acid

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Deleted or Replaced CAS Registry Numbers

39236-50-5