chempirical

Diacetyl benzoyl lathyrol

C31H38O7CAS 218916-52-0522.64 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C31H38O7
Molar mass
522.64 g/mol
Exact mass
522.2618 Da
logP
5.24Crippen estimate
Polar surface area
96.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4
Stereocentres
S, R, R, S, S, R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
218916-52-0
SMILES
C=C1CC[C@H]2[C@@H](/C=C(C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C
InChIKey
JPYYWXPAHJBKJX-VWSFRBHVSA-N
InChI
InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1

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

Names and synonyms

6 names
  • Euphorbia factor L3
  • 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,8-bis(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-
  • (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Bis(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-4H-cyclopenta[a]cyclopropa[f]cycloundecen-4-one
  • 5,15-Diacetyl-3-benzoyllathyrol
  • Lathyrol-3,15-diacetate 5-benzoate
  • Euphorbetin L3

Work with Diacetyl benzoyl lathyrol

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

Euphorbiasteroid28649-59-456 % similar Euphorbia factor L176376-43-756 % similar (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-Dodecahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-9-methylene-4H-cyclopenta[a]cyclopropa[f]cycloundecen-4-one34420-19-443 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose3080-30-632 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-932 % similar

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

Elsewhere

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