(Q105125428)

English

1-[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

440.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O

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canonical SMILES

O=C(C)C1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Leucosceptrum canum

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stated in

Antibacterial constituents from Leucosceptrum canum

Identifiers

InChI

InChI=1S/C31H52O/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-25-19-24(22(5)32)15-17-30(25,6)29(26)16-18-31(27,28)7/h11,20-21,23-24,26-29H,8-10,12-19H2,1-7H3/t21-,23-,24+,26+,27-,28+,29+,30+,31-/m1/s1

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InChIKey

JDFMFWFJXXYJGB-JNIMKRAMSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105125428)

1-[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanone

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Identifiers

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