(Q105238178)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,13-Dimethyl-17-(4,5,6-trimethylhept-3-en-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

410.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O

0 references

canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C=C(C)C(C)C(C)C)C)C2(C)CC1

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isomeric SMILES

C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C

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found in taxon

Gymnodinium lunula

1 reference

stated in

Sterols of the cultured dinoflagellate Pyrocystis lunula

Pyrocystis lunula

1 reference

stated in

Sterols of the cultured dinoflagellate Pyrocystis lunula

Identifiers

InChI

InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h16-18,20-21,24-27H,8-15H2,1-7H3/b19-16+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

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InChIKey

RJXSEADMSNCOHI-HBUBBORUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105238178)

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

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Identifiers

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