Dihydrobetulinic acid
CAS Registry Number®
25488-53-3
CAS Name
Dihydrobetulinic acidMolecular Formula
C30H50O3Molecular Mass
458.72Cite this Page
Dihydrobetulinic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=25488-53-3 (retrieved ) (CAS RN: 25488-53-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
317-319 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H50O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=PZXJOHSZQAEJFE-FZFNOLFKSA-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@@H](O)CC5)[H])[H])[H])([C@H]([C@H](C)C)CC2)[H]
Canonical SMILES
O=C(O)C12CCC(C(C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Lupan-28-oic acid, 3-hydroxy-, (3β)-
- Lupan-28-oic acid, 3β-hydroxy-
- (3β)-3-Hydroxylupan-28-oic acid
- Dihydrobetulic acid
- Dihydrobetulinic acid
Deleted or Replaced CAS Registry Numbers
31032-68-5, 1192133-33-7