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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Pseudoginsenoside rt598474-78-386 % similar Ginsenoside re52286-59-676 % similar Ginsenoside rg252286-74-570 % similar 20R-Ginsenoside rg280952-72-370 % similar Ginsenoside F4181225-33-266 % similar Notoginsenoside R180418-24-263 % similar Ginsenoside rg6147419-93-062 % similar Ginsenoside rh163223-86-959 % 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