chempirical

Poricoic acid A

C31H46O5CAS 137551-38-3498.70 g/mol

Open in Covalent MOL file
OHOOHOHO
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C31H46O5
Molar mass
498.70 g/mol
Exact mass
498.3345 Da
logP
6.80Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
10
Stereocentres
R, R, R, R, R, S, 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
137551-38-3
SMILES
CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O
InChIKey
KVAQLXUMUVEKGR-SMFZDKLCSA-N
InChI
InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Poricoic acid A(F)

Work with Poricoic acid A

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Poricoic acid B137551-39-479 % similar Dehydrotumulosic acid6754-16-168 % similar Pachymic acid29070-92-649 % similar Roburic acid6812-81-334 % similar Ganoderal A104700-98-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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