(20S)-Protopanaxadiol

C₃₀H₅₂O₃CAS 30636-90-9460.74 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₃₀H₅₂O₃
Molar mass: 460.74 g/mol
Exact mass: 460.3916 Da
Melting point: 197–200 °C
logP: 6.50Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: S, S, R, R, R, R, R, S, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

30636-90-9

SMILES

CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C

InChIKey

PYXFVCFISTUSOO-HKUCOEKDSA-N

InChI

InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1

Weigh it out

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

Names and synonyms

5 names

Dammar-24-ene-3,12,20-triol, (3β,12β)-
Dammar-24-ene-3β,12β,20-triol
(3β,12β)-Dammar-24-ene-3,12,20-triol
20-Epiprotopanaxadiol
20(S)-APPD

Work with (20S)-Protopanaxadiol

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

Protopanaxatriol1453-93-681 % similar Protopanaxatriol34080-08-581 % similar 20(R)-Ginsenoside112246-15-867 % similar Ginsenoside rh278214-33-267 % similar Ginsenoside rh163223-86-965 % similar Ginsenoside 20(R)-rh180952-71-265 % similar Ginsenoside rg314197-60-563 % similar R-Ginsenoside rg338243-03-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Panaxadiol19666-76-3 Isotridecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate847488-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook