(Q105298209)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(4,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-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

chemical formula

C₂₈H₄₆O

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=C(C)CC(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]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(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/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,16,18,20,22-26,29H,8-15,17H2,1-6H3/b19-16+/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

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InChIKey

VWOZANDHAVNMEW-BHKPVZIHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105298209)

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

Statements

Identifiers

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