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

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Weigh it out

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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 Pseudoginsenoside rt598474-78-344 % similar Protopanaxatriol1453-93-643 % similar Protopanaxatriol34080-08-543 % similar Ginsenoside F262025-49-443 % similar Ginsenoside F153963-43-243 % similar Ginsenoside rg122427-39-042 % 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

PubChem CAS Common Chemistry NIST WebBook