chempirical

Pseudoginsenoside F11

C42H72O14CAS 69884-00-0801.02 g/mol

Open in Covalent MOL file
OOOOHOHOHOOHOHOHOHOHOOH
AcetalAlcoholEther

Properties

Molecular formula
C42H72O14
Molar mass
801.02 g/mol
Exact mass
800.4922 Da
logP
1.36Crippen estimate
Polar surface area
228.2 Ų
H-bond donors / acceptors
9 / 14
Rotatable bonds
7
Stereocentres
S, S, R, R, S, R, R, R, R, S, S, R, R, R, S, R, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
69884-00-0
SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3C[C@]4(C)[C@H](C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]34)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
JBGYSAVRIDZNKA-NKECSCAMSA-N
InChI
InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • β-D-Glucopyranoside, (3β,6α,12β,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,6α,12β,24R)-20,24-Epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Ginsenoside A1

Work with Pseudoginsenoside F11

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

20(R)-Ginsenoside112246-15-847 % similar (20S)-Protopanaxadiol30636-90-935 % similar (+)-Dioscin19057-60-434 % similar (3β,22β,25S)-Spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside20318-30-334 % similar

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

Same formula

Ginsenoside rg122427-39-0 Ginsenoside rf52286-58-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook