(Q105164265)

English

(1R,9R,10R,13R,14R)-14-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadec-4-ene-3,6,17-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

14-(5,6-Dimethylhept-3-en-2-yl)-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadec-4-ene-3,6,17-trione

1 reference

based on heuristic

inferred from SMILES

mass

424.29774514 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₈H₄₀O₃

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canonical SMILES

O=C1C=C2C(=O)CC34C(=O)CCC(C(C=CC(C)C(C)C)C)C4(C)CCC3C2(C)CC1

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isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CCC(=O)[C@]23CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C

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found in taxon

Arachniotus dankaliensis

1 reference

stated in

Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source

Identifiers

InChI

InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19-,21+,24+,26-,27+,28-/m0/s1

0 references

InChIKey

MHVQURVXZWOWCF-XLBCRWAMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHVQURVXZWOWCF-XLBCRWAMSA-N

(Q105164265)

(1R,9R,10R,13R,14R)-14-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadec-4-ene-3,6,17-trione

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Identifiers

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