CAS Registry Number®
472-15-1
CAS Name
Betulinic acid
Molecular Formula
C30H48O3
Molecular Mass
456.70
Compound Properties
-
Melting Point (1)
303 °C
Source(s)
- (1) Traubenberg, I. K.; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, (1917), 49, 381-94, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H48O3/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/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=QGJZLNKBHJESQX-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(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
- Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3β)-
- Mairin
- Lup-20(29)-en-28-oic acid, 3β-hydroxy-
- 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.
- (3β)-3-Hydroxylup-20(29)-en-28-oic acid
- Betulinic acid
- Betulic acid
- 3β-Hydroxylup-20(29)-en-28-oic acid
- (+)-Betulinic acid
- β-Betulinic acid
- NSC 113090
- Lupatic acid
Deleted or Replaced CAS Registry Numbers
853271-91-7, 1192133-35-9, 1192133-65-5, 2088830-43-5
