Trillin

C33H52O8CAS 14144-06-0576.77 g/mol

Open in Covalent MOL file
OOOOHOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C33H52O8
Molar mass
576.77 g/mol
Exact mass
576.3662 Da
Melting point
275–280 °C (decomposes)
logP
3.54Crippen estimate
Polar surface area
117.8 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
R, R, S, S, S, S, R, R, S, S, 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
14144-06-0
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)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChIKey
WXMARHKAXWRNDM-GAMIEDRGSA-N
InChI
InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl
  • Diosgenin β-D-glucopyranoside
  • 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 β-D-glucopyranoside
  • Diosgenin 3-O-β-D-glucopyranoside
  • Alliumoside A
  • Funkioside A
  • Polygonatoside A
  • Prosapogenin D′3
  • Diosgenin β-D-glucoside
  • Polyphyllin A
  • Melongoside B
  • Collettiside I
  • Diosgenin glucoside
  • Diosgenin 3-β-D-glucoside
  • Disogluside
  • Lilioglycoside A

Work with Trillin

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

Prosapogenin A19057-67-188 % similar Gracillin19083-00-287 % similar Polyphyllin D76296-72-587 % similar (+)-Dioscin19057-60-485 % similar Zingiberensis saponin I91653-50-884 % similar Ophiopogonin D'65604-80-078 % similar Liriope muscari baily saponins C87480-46-478 % similar Methylprotodioscin54522-52-076 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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