chempirical

Lucidenic acid D

C29H38O8CAS 98665-16-8514.62 g/mol

Open in Covalent MOL file
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AlkeneCarboxylic acidEsterKetone

Properties

Molecular formula
C29H38O8
Molar mass
514.62 g/mol
Exact mass
514.2567 Da
logP
3.88Crippen estimate
Polar surface area
131.9 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5
Stereocentres
S, R, S, R, R, R, Rin 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
98665-16-8
SMILES
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC(=O)O)[C@@]12C
InChIKey
LTJSBYAKDOGXLX-JTJCPSTFSA-N
InChI
InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,25-,27+,28+,29+/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Chol-8-en-24-oic acid, 12-(acetyloxy)-4,4,14-trimethyl-3,7,11,15-tetraoxo-, (5α,12β)-
  • (5α,12β)-12-(Acetyloxy)-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oic acid
  • Lucidenic acid D 2

Work with Lucidenic acid D

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

Lucidenic acid A95311-94-753 % similar Ganoderenic acid E110241-23-134 % similar Ganoderenic acid d100665-43-833 % similar Ganoderic acid D108340-60-932 % similar Ganoderic acid G98665-22-632 % similar Dehydrocholic acid81-23-231 % similar Ganoderic acid81907-62-231 % similar

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

Elsewhere

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