(Q105110950)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

14-(5-Ethyl-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-9-one

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-Oxo-beta-sitosterol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

3beta-Hydroxyporiferast-5-en-7-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₂

0 references

canonical SMILES

O=C1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCC(CC)C(C)C

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isomeric SMILES

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

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found in taxon

Globba racemosa

1 reference

stated in

Chemical constituents from Exochorda racemosa

Identifiers

InChI

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23+,24+,25-,27+,28-,29-/m1/s1

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InChIKey

ICFXJOAKQGDRCT-ACVHKUPISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ICFXJOAKQGDRCT-ACVHKUPISA-N

1 reference

(Q105110950)

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

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