(Q105213783)

English

(6R,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-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

6-Hydroxy-10,13-dimethyl-17-(5-propan-2-ylhept-5-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

(10R,13R)-6-hydroxy-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-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

426.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₂

0 references

canonical SMILES

O=C1C=C2C(O)CC3C(CCC4(C)C(CCC34)C(C)CCC(=CC)C(C)C)C2(C)CC1

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isomeric SMILES

C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Turbinaria conoides

1 reference

stated in

New cytotoxic oxygenated fucosterols from the brown alga Turbinaria conoides

Identifiers

InChI

InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h7,16,18-19,22-25,27,31H,8-15,17H2,1-6H3/b20-7+/t19-,22+,23-,24+,25+,27-,28-,29-/m1/s1

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InChIKey

PRKRLDJHSWQHED-CLUHYBOGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PRKRLDJHSWQHED-CLUHYBOGSA-N

1 reference

(Q105213783)

(6R,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-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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