Arjunolic acid
Properties
- Molecular formula
- C30H48O5
- Molar mass
- 488.71 g/mol
- Exact mass
- 488.3502 Da
- Melting point
- 332–334 °C
- logP
- 5.18Crippen estimate
- Polar surface area
- 98.0 Ų
- H-bond donors / acceptors
- 4 / 4
- Rotatable bonds
- 2
- Stereocentres
- S, S, R, R, R, R, R, R, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
465-00-9SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1InChIKey
RWNHLTKFBKYDOJ-DDHMHSPCSA-NInChI
InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3β,4α)-
- Olean-12-en-28-oic acid, 2α,3β,23-trihydroxy-
- (2α,3β,4α)-2,3,23-Trihydroxyolean-12-en-28-oic acid
- 2α,3β,23-Trihydroxyolean-12-en-28-oic acid
- Urjinolic acid
Work with Arjunolic acid
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Oleanonic acid17990-42-066 % similar
Oleanolic acid acetate4339-72-460 % similar
α-Hederin27013-91-860 % similar
Scabioside C17233-22-660 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds