Ginsenoside rg1

C42H72O14CAS 22427-39-0801.02 g/mol

Open in Covalent MOL file
OOOHOHOHOHOHHOOOOHOHHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H72O14
Molar mass
801.02 g/mol
Exact mass
800.4922 Da
Melting point
191–194 °C
logP
1.12Crippen estimate
Polar surface area
239.2 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
10
Stereocentres
S, S, R, S, S, R, S, R, R, R, R, R, S, R, S, R, R, S, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
22427-39-0
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
InChIKey
YURJSTAIMNSZAE-HHNZYBFYSA-N
InChI
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxydammar-24-ene-6,20-diyl bis-
  • Panaxoside A
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,6α,12β)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-β-D-glucopyranoside
  • Sanchinoside C1
  • Ginsenoside A2
  • Panaxoside rg1
  • Ginsenoside g1
  • Sanchinoside rg1
  • Panaxsaponin rg1
  • Rg1 ginsenoside

Work with Ginsenoside rg1

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

Ginsenoside F153963-43-291 % similar Ginsenoside re52286-59-687 % similar Notoginsenoside R180418-24-285 % similar Ginsenoside K39262-14-183 % similar Ginsenoside rh163223-86-981 % similar Ginsenoside 20(R)-rh180952-71-281 % similar Ginsenoside F362025-50-776 % similar Ginsenoside F262025-49-476 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ginsenoside rf52286-58-5 Pseudoginsenoside F1169884-00-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook