CAS Registry Number®
4481-62-3
CAS Name
(+)-Betulonic acid
Molecular Formula
C30H46O3
Molecular Mass
454.68
Compound Properties
-
Melting Point (1)
253 °C
Source(s)
- (1) Kawaguti, Riiti; Yakugaku Zasshi, (1940), 60, 595-6,Abstracts 235-6, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H46O3/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/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=SLJTWDNVZKIDAU-SVAFSPIFSA-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])[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-oxo-
- Lup-20(30)-en-28-oic acid, 3-oxo-
- 3-Oxolup-20(29)-en-28-oic acid
- Betulonic acid
- Liquidambronic acid
- Liquidambaric acid
- 3-Oxobetulinic acid
- MJ 347-RS
- NSC 152534
- (+)-Betulonic acid
- Betunolic acid
Deleted or Replaced CAS Registry Numbers
853271-92-8, 1417540-45-4, 2098643-19-5
