(Q105170330)

English

(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-1-en-4-one

group of stereoisomers with the chemical formula C₂₈H₄₆O

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Statements

instance of

group of stereoisomers

0 references

1 reference

398.354866092 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O

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canonical SMILES

O=C(CC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C)C(C(=C)C)C

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isomeric SMILES

C=C(C)[C@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Harrisonia abyssinica

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stated in

Steroids from Harrisonia abyssinica

Homalolepis cuneata

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stated in

Isolation of secoisolariciresinol diesters from stems of Simaba cuneata

Identifiers

InChI

InChI=1S/C28H46O/c1-18(2)20(4)26(29)17-19(3)23-12-13-24-22-11-10-21-9-7-8-15-27(21,5)25(22)14-16-28(23,24)6/h19-25H,1,7-17H2,2-6H3/t19-,20+,21?,22+,23-,24+,25+,27+,28-/m1/s1

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InChIKey

MQXIKUBRSBCBNM-OBMCTJFRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQXIKUBRSBCBNM-OBMCTJFRSA-N

1 reference

(Q105170330)

(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-1-en-4-one

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