(Q105213778)

English

(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

mass

400.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Ergost-22-en-3-ol, (3beta,5alpha,22E,24R)-

1 reference

based on heuristic

inferred from InChI

(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₈O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C=CC(C)C(C)C)C)C4(C)CCC32)C1

0 references

isomeric SMILES

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

0 references

found in taxon

Amphilectus fucorum

1 reference

stated in

Novel sterols from the sponge esperiopsis edwardii

Identifiers

InChI

InChI=1S/C28H48O/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/h7-8,18-26,29H,9-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23-,24+,25-,26-,27-,28+/m0/s1

0 references

InChIKey

PRKPDIRLXGMLSU-SNPVPZKZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105213778)

(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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Identifiers

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