chempirical

Panaxadiol

C30H52O3CAS 19666-76-3460.74 g/mol

Open in Covalent MOL file
OHOOH
AlcoholEther

Properties

Molecular formula
C30H52O3
Molar mass
460.74 g/mol
Exact mass
460.3916 Da
logP
6.74Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
R, S, R, R, R, R, R, R, 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
19666-76-3
SMILES
C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)O)C
InChIKey
PVLHOJXLNBFHDX-XHJPDDKBSA-N
InChI
InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1

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Work with Panaxadiol

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

Panaxatriol32791-84-780 % similar Ginsenoside K39262-14-153 % similar Protopanaxatriol1453-93-643 % similar Protopanaxatriol34080-08-543 % similar Ginsenoside F262025-49-443 % similar Ginsenoside F153963-43-243 % similar Ginsenoside rg122427-39-042 % similar Lupeol545-47-141 % similar

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

Same formula

(20S)-Protopanaxadiol30636-90-9 Isotridecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate847488-62-4

Elsewhere

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