(Q105225201)

English

(3S,5S,9R,10S,13R,14R,17R)-17-[(Z,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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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instance of

type of chemical entity

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subclass of

17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-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

(3S,9S,10S,13R,14S,17S)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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

Campesta-7,22E-dien-3beta-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5S,9R,10S,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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

5alpha-ergosta-7,22-dien-3beta-ol

1 reference

based on heuristic

inferred from InChI

(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

5alpha-ergosta-5,22Z-dien-3beta-ol

1 reference

based on heuristic

inferred from InChI

(3S,5S,9S,10R,13S,14R,17S)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

(3S,5R,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

chemical formula

C₂₈H₄₆O

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Daedalea quercina

1 reference

stated in

Sterol Constituents ofDaedalea quercinaL. (Fr.)

Phycomyces blakesleeanus

1 reference

stated in

Sterol esters of Phycomyces blakesleeanus

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/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7-/t19-,20-,21-,22-,24+,25-,26-,27-,28+/m0/s1

0 references

InChIKey

QOXPZVASXWSKKU-SARDJIFQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105225201)

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

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