Panaxatriol

C₃₀H₅₂O₄CAS 32791-84-7476.74 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₃₀H₅₂O₄
Molar mass: 476.74 g/mol
Exact mass: 476.3866 Da
Melting point: 238–239 °C
logP: 5.71Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1
Stereocentres: R, S, R, R, R, R, R, S, R, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

32791-84-7

SMILES

CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@]23C)O1

InChIKey

QFJUYMMIBFBOJY-UXZRXANASA-N

InChI

InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1

Weigh it out

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

Names and synonyms

4 names

Dammarane-3,6,12-triol, 20,25-epoxy-, (3β,6β,12β,20R)-
Dammarane-3β,6β,12β-triol, 20,25-epoxy-, (20R)-
(3β,6β,12β,20R)-20,25-Epoxydammarane-3,6,12-triol
NSC 308880

Work with Panaxatriol

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

Panaxadiol19666-76-380 % similar Ginsenoside F153963-43-254 % similar Ginsenoside F362025-50-751 % similar Ginsenoside rg122427-39-048 % similar Pseudoginsenoside F1169884-00-044 % similar (20S)-Protopanaxadiol30636-90-943 % similar Ginsenoside rh163223-86-943 % similar Ginsenoside 20(R)-rh180952-71-243 % similar

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

Same formula

Protopanaxatriol1453-93-6 Protopanaxatriol34080-08-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia