(Q104997894)

English

(4S)-4-[(Z)-2-[(1S,2S,5S,9R)-1,3,5,7-tetramethyl-9-(3-oxopent-1-en-2-yl)-2-bicyclo[3.3.1]nona-3,7-dienyl]prop-1-enyl]cyclopent-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-[2-[1,3,5,7-Tetramethyl-9-(3-oxopent-1-en-2-yl)-2-bicyclo[3.3.1]nona-3,7-dienyl]prop-1-enyl]cyclopent-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

(4S)-4-[(1Z)-2-[(2S,5S,9R)-1,3,5,7-tetramethyl-9-(3-oxopent-1-en-2-yl)bicyclo[3.3.1]nona-3,7-dien-2-yl]prop-1-en-1-yl]cyclopent-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

378.255880328 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(4S)-4-[2-[(1S,2S,5R,9R)-1,3,5,7-tetramethyl-9-(3-oxopent-1-en-2-yl)-2-bicyclo[3.3.1]nona-3,7-dienyl]prop-1-enyl]cyclopent-2-en-1-one

1 reference

1 reference

C₂₆H₃₄O₂

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canonical SMILES

O=C1C=CC(C=C(C)C2C(=CC3(C)CC(=CC2(C)C3C(=C)C(=O)CC)C)C)C1

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isomeric SMILES

C=C(C(=O)CC)[C@@H]1[C@]2(C)C=C(C)[C@H](/C(C)=C\[C@@H]3C=CC(=O)C3)[C@]1(C)C=C(C)C2

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found in taxon

Aspergillus rugulosus

1 reference

stated in

Prenylxanthones and a bicyclo[3.3.1]nona-2,6-diene derivative from the fungus Emericella rugulosa.

Identifiers

InChI

InChI=1S/C26H34O2/c1-8-22(28)19(5)24-25(6)13-16(2)14-26(24,7)23(18(4)15-25)17(3)11-20-9-10-21(27)12-20/h9-11,14-15,20,23-24H,5,8,12-13H2,1-4,6-7H3/b17-11-/t20-,23-,24+,25-,26-/m0/s1

0 references

InChIKey

FMKMRACZTYQJQI-KRSAPZEISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FMKMRACZTYQJQI-KRSAPZEISA-N

(Q104997894)

(4S)-4-[(Z)-2-[(1S,2S,5S,9R)-1,3,5,7-tetramethyl-9-(3-oxopent-1-en-2-yl)-2-bicyclo[3.3.1]nona-3,7-dienyl]prop-1-enyl]cyclopent-2-en-1-one

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