chempirical

Poricoic acid B

C30H44O5CAS 137551-39-4484.68 g/mol

Open in Covalent MOL file
OHOOHOHO
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C30H44O5
Molar mass
484.68 g/mol
Exact mass
484.3189 Da
logP
6.55Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
9
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
137551-39-4
SMILES
CC(=CCC[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)C
InChIKey
NXAZWYWJZDFISF-KXGBKNTBSA-N
InChI
InChI=1S/C30H44O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,12-13,20-21,24,26,31H,3,8,10-11,14-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1

Weigh it out

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

Work with Poricoic acid B

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 A137551-38-379 % similar Dehydrotumulosic acid6754-16-153 % similar Elemonic acid28282-25-939 % similar Pachymic acid29070-92-638 % similar Roburic acid6812-81-334 % similar Ganoderal A104700-98-332 % similar

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

Elsewhere

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