chempirical

Ganoderic acid B

C30H44O7CAS 81907-61-1516.68 g/mol

Open in Covalent MOL file
OOOOHOHOHO
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C30H44O7
Molar mass
516.68 g/mol
Exact mass
516.3087 Da
logP
4.13Crippen estimate
Polar surface area
129.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6
Stereocentres
R, R, R, R, R, S, S, 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
81907-61-1
SMILES
C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O
InChIKey
LWPLEHFGBRFRKI-NBCWKOIPSA-N
InChI
InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,28+,29-,30+/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • Lanost-8-en-26-oic acid, 3,7-dihydroxy-11,15,23-trioxo-, (3β,7β,25R)-
  • (3β,7β,25R)-3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic acid

Work with Ganoderic 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

Ganoderic acid D108340-60-971 % similar Ganoderic acid G98665-22-671 % similar Lucidenic acid A95311-94-756 % similar Ganoderenic acid d100665-43-851 % similar Ganoderenic acid E110241-23-137 % similar

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

Same formula

Cucurbitacin D3877-86-9 Ganoderic acid81907-62-2

Elsewhere

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