(Q104945511)

English

(3R,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

398.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,9R,10S,13R,14R,17S)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

1 reference

1 reference

C₂₈H₄₆O

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(=C)C(C)C)C4(C)CC3

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Alternaria alternata

1 reference

stated in

Metabolites produced by an endophyte Alternaria alternata isolated from Maytenus hookeri

Gymnosporia oxyphylla

1 reference

stated in

Metabolites produced by an endophyte Alternaria alternata isolated from Maytenus hookeri

Gymnosporia acuminata

1 reference

stated in

Metabolites produced by an endophyte Alternaria alternata isolated from Maytenus hookeri

Identifiers

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22-,24-,25+,26+,27+,28-/m1/s1

0 references

InChIKey

BTCAEOLDEYPGGE-MQYGDLHZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104945511)

(3R,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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