CAS Registry Number®
464-92-6
CAS Name
Asiatic acid
Molecular Formula
C30H48O5
Molecular Mass
488.70
Compound Properties
-
Melting Point (1)
~300 °C (approx)
Source(s)
- (1) Boiteau, P.; Bulletin de la Societe de Chimie Biologique, (1949), 31, 46-51, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey
InChIKey=JXSVIVRDWWRQRT-UYDOISQJSA-N
SMILES
C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O)[C@H](O)C5)[H])[H]
Canonical SMILES
O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3β,4α)-
- Urs-12-en-28-oic acid, 2α,3β,23-trihydroxy-
- Asiatic acid
- (2α,3β,4α)-2,3,23-Trihydroxyurs-12-en-28-oic acid
- 2α,3β,23-Trihydroxyurs-12-en-28-oic acid
- NSC 166063
- 2α,23-Dihydroxyursolic acid
- Dammarolic acid
- 2α,3β,24-Trihydroxy-12-en-28-ursolic acid
