(Q104912948)

English

(5S)-5-methoxy-2-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-methoxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-1,3,3-trimethylcyclohexene

chemical compound

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instance of

type of chemical entity

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subclass of

5-Methoxy-2-[18-(4-methoxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-1,3,3-trimethylcyclohexene

1 reference

based on heuristic

inferred from SMILES

mass

592.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₆O₂

0 references

canonical SMILES

C(#CC1=C(C)CC(OC)CC1(C)C)C(=CC=CC(=CC=CC=C(C=CC=C(C#CC2=C(C)CC(OC)CC2(C)C)C)C)C)C

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isomeric SMILES

CO[C@H]1CC(C)=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](OC)CC2(C)C)C(C)(C)C1

0 references

found in taxon

Suberites massa

1 reference

stated in

Chemical analysis of the spongeSuberites massa coming from the Lagoon of Venice: Isolation of a New Diacetylenic Carotenoid

Identifiers

InChI

InChI=1S/C42H56O2/c1-31(19-15-21-33(3)23-25-39-35(5)27-37(43-11)29-41(39,7)8)17-13-14-18-32(2)20-16-22-34(4)24-26-40-36(6)28-38(44-12)30-42(40,9)10/h13-22,37-38H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,31-17+,32-18+,33-21+,34-22+/t37-,38-/m0/s1

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InChIKey

AISMWPSTESEVLG-FJYHSFPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AISMWPSTESEVLG-FJYHSFPJSA-N

(Q104912948)

(5S)-5-methoxy-2-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-methoxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-1,3,3-trimethylcyclohexene

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Identifiers

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