chempirical

Ginsenoside F1

C36H62O9CAS 53963-43-2638.88 g/mol

Open in Covalent MOL file
OOOHOHOHOHOHHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H62O9
Molar mass
638.88 g/mol
Exact mass
638.4394 Da
logP
3.30Crippen estimate
Polar surface area
160.1 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
7
Stereocentres
S, S, R, S, S, R, S, R, R, R, R, R, S, R, S, Rin 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
53963-43-2
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[C@]12C
InChIKey
XNGXWSFSJIQMNC-FIYORUNESA-N
InChI
InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,6,12-trihydroxydammar-24-en-20-yl
  • Dammarane, β-D-glucopyranoside deriv.
  • Panaxoside A progenin
  • 20(S)-Ginsenoside F1
  • F1 Ginsenoside

Work with Ginsenoside F1

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 rg122427-39-091 % similar Ginsenoside K39262-14-184 % similar Ginsenoside F362025-50-784 % similar Vinaginsenoside R4156009-80-281 % similar Ginsenoside re52286-59-679 % similar Notoginsenoside R180418-24-279 % similar Ginsenoside F262025-49-474 % similar Ginsenoside rf52286-58-570 % similar

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

Same formula

Ginsenoside rh163223-86-9 Ginsenoside 20(R)-rh180952-71-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook