(Q105025923)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

17-(7-Hydroxy-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

412.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₂

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1)C4CCC(C(C=CC(C)C(C)CO)C)C4(C)CC3

0 references

isomeric SMILES

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

0 references

found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C28H44O2/c1-18(20(3)17-29)6-7-19(2)24-10-11-25-23-9-8-21-16-22(30)12-14-27(21,4)26(23)13-15-28(24,25)5/h6-7,9,18-21,24-26,29H,8,10-17H2,1-5H3/b7-6+/t18-,19+,20+,21+,24+,25+,26+,27-,28+/m0/s1

0 references

InChIKey

HCQKGAYOZHKURE-NPVWMFHMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105025923)

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

Statements

Identifiers

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