Elemonic acid
Properties
- Molecular formula
- C30H46O3
- Molar mass
- 454.70 g/mol
- Exact mass
- 454.3447 Da
- Melting point
- 274 °C
- logP
- 7.75Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
Identifiers
CAS number
28282-25-9SMILES
CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3InChIKey
XLPAINGDLCDYQV-SDTWUMECSA-NInChI
InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28+,29-,30+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Lanosta-8,24-dien-21-oic acid, 3-oxo-, (13α,14β,17α,20S)-
- 13α,14β,17βH-Lanosta-8,24-dien-21-oic acid, 3-oxo-, (20S)-
- (13α,14β,17α,20S)-3-Oxolanosta-8,24-dien-21-oic acid
- Elemadienonic acid
- β-Elemonic acid
- 3-Oxotirucallic acid
- 3-Ketotirucalla-8,24-dien-21-oic acid
- 3-Oxotirucalla-8,24-dien-21-oic acid
- 3-Oxotirucallenoic acid
- 3-Oxo-8,24-tirucalledien-21-oic acid