(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-one

C20H30O4CAS 34420-19-4334.46 g/mol

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OOHHOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C20H30O4
Molar mass
334.46 g/mol
Exact mass
334.2144 Da
logP
2.23Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
0
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.

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Identifiers

CAS number
34420-19-4
SMILES
C=C1CC[C@H]2[C@@H](/C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C
InChIKey
SDBITTRHSROXCY-SVSKDHLKSA-N
InChI
InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14+,15-,16-,17-,20+/m0/s1

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Names and synonyms

3 names
  • 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-
  • 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-9-methylene-, [1aR-(1aR*,2E,4aR*,6S*,7S*,7aR*,8R*,11aS*)]-
  • Lathyrol

Work with (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-one

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

17-Hydroxyisolathyrol93551-00-966 % similar Diacetyl benzoyl lathyrol218916-52-043 % similar Euphorbiasteroid28649-59-431 % similar Euphorbia factor L176376-43-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Deoxyandrographolide4176-97-0 Dihexyl phthalate84-75-3

Elsewhere

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