Prosapogenin A

C39H62O12CAS 19057-67-1722.91 g/mol

Open in Covalent MOL file
OOOOHOOHOHOOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C39H62O12
Molar mass
722.91 g/mol
Exact mass
722.4241 Da
Melting point
212–214 °C
logP
2.39Crippen estimate
Polar surface area
176.8 Ų
H-bond donors / acceptors
6 / 12
Rotatable bonds
5
Stereocentres
R, R, S, S, S, S, R, R, S, S, R, S, S, R, R, R, R, S, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
19057-67-1
SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChIKey
HDXIQHTUNGFJIC-FOAHKCLGSA-N
InChI
InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1

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

Names and synonyms

19 names · show all
  • β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • Spirost-5-ene, 3β-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-, (25R)-
  • Spirostan, β-D-glucopyranoside deriv.
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-glucopyranoside deriv.
  • (3β,25R)-Spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Glucopyranoside, (25R)-spirost-5-en-3β-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-, β-D-
  • Prosapogenin A of dioscin
  • Diosgenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
  • Prosapogenin A, from dioscoreatokoro
  • Prosapogenin D′1
  • Ophiopogonin C'
  • Progenin III
  • Lilioglycoside D
  • Polyphyllin V
  • 25(R)-Diosgenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
  • Paris V
  • 17-Deoxyparis VI
  • Saponin ta
  • Paris saponin V

Work with Prosapogenin A

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

Gracillin19083-00-294 % similar (+)-Dioscin19057-60-494 % similar Zingiberensis saponin I91653-50-893 % similar Polyphyllin D76296-72-592 % similar Trillin14144-06-088 % similar Ophiopogonin D'65604-80-085 % similar Liriope muscari baily saponins C87480-46-485 % similar Methylprotodioscin54522-52-084 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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