Tenuifolin

C36H56O12CAS 20183-47-5680.83 g/mol

Open in Covalent MOL file
OHOHOOHOOOHOHOHOHOOH
AcetalAlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C36H56O12
Molar mass
680.83 g/mol
Exact mass
680.3772 Da
Melting point
201–204 °C
logP
2.07Crippen estimate
Polar surface area
214.4 Ų
H-bond donors / acceptors
8 / 10
Rotatable bonds
6
Stereocentres
S, R, R, R, S, R, R, R, S, S, R, S, R, 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
20183-47-5
SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
DBJLNNAUDGIUAE-YGIRLYIESA-N
InChI
InChI=1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34-,35-,36-/m0/s1

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

Names and synonyms

6 names
  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, (2β,3β,4α)-
  • Olean-12-ene-23,28-dioic acid, 3β-(β-D-glucopyranosyloxy)-2β,27-dihydroxy-
  • Glucopyranoside, 2β,3β,27-trihydroxyolean-12-ene-23,28-dioic acid-3, β-D-
  • (2β,3β,4α)-3-(β-D-Glucopyranosyloxy)-2,27-dihydroxyolean-12-ene-23,28-dioic acid
  • Presenegenin-3-O-glucoside
  • Tenuifoline

Work with Tenuifolin

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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