(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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Alcohol Alkene Ketone

Properties

Molecular formula: C₂₀H₃₀O₄
Molar mass: 334.46 g/mol
Exact mass: 334.2144 Da
logP: 2.23Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 0
Stereocentres: S, R, R, S, S, R, Rin SMILES atom order

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

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

Same formula

Deoxyandrographolide4176-97-0 Dihexyl phthalate84-75-3

Elsewhere

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