(Q104912518)

English

(5R,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-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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Statements

instance of

type of chemical entity

0 references

subclass of

17-(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

396.339216028 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-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

based on heuristic

inferred from InChI

Ergosta-7,22-diene-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-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

5alpha-Ergosta-7,22-diene-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC(C)[C@@H](C)/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

0 references

found in taxon

Pycnoporus sanguineus

1 reference

stated in

Chemistry of fungi. Part III. Constituents of Coriolus sanguineus Fr.

Trametes coccinea

1 reference

stated in

Chemistry of fungi. Part III. Constituents of Coriolus sanguineus Fr.

Identifiers

InChI

InChI=1S/C28H44O/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/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/b8-7+/t19-,20-,21+,24+,25-,26-,27-,28+/m0/s1

0 references

InChIKey

AHWOEMBXZXGDBQ-XWBZEQJWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AHWOEMBXZXGDBQ-XWBZEQJWSA-N

(Q104912518)

(5R,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-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

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Identifiers

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