(Q105133025)

English

17-(4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13,14-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

group of stereoisomers with the chemical formula C₃₀H₄₈O

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Statements

instance of

group of stereoisomers

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subclass of

14-methylstigmastane steroid

1 reference

inferred from

14-methylstigmastane steroid

mass

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O

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canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34C)C(C=CC(CC)C(C)C)C)C2(C)CC1

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isomeric SMILES

CC[C@H](/C=C/C(C)[C@H]1CC[C@@]2(C)C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C

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found in taxon

Morinda citrifolia

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stated in

Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).

Identifiers

InChI

InChI=1S/C30H48O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h9-10,19-22,25-27H,8,11-18H2,1-7H3/b10-9+/t21?,22-,25-,26?,27?,28+,29-,30+/m1/s1

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InChIKey

JPNPQGRQWDYFJU-RRKRBZLQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JPNPQGRQWDYFJU-RRKRBZLQSA-N

1 reference

(Q105133025)

17-(4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13,14-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

Statements

Identifiers

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