(Q105225840)

English

(8R,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-Dimethylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

1 reference

398.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(24S)-Ergost-4-en-3-one

2 references

based on heuristic

inferred from InChIKey

1 reference

(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₆O

0 references

canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C)CCC(C)C(C)C)C2(C)CC1

0 references

isomeric SMILES

CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Zanthoxylum wutaiense

1 reference

stated in

Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity

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/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23-,24-,25+,26+,27+,28-/m1/s1

0 references

InChIKey

QQIOPZFVTIHASB-JMIKMVMESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQIOPZFVTIHASB-JMIKMVMESA-N

(Q105225840)

(8R,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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