(Q105111701)

English

(2R)-3-[(1Z,3E)-6-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-4-(hydroxymethyl)hexa-1,3-dienyl]-2-hydroxy-2H-furan-5-one

chemical compound

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type of chemical entity

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subclass of

3-[6-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-4-(hydroxymethyl)hexa-1,3-dienyl]-2-hydroxy-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

4-[(1E)-4-[2-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-5-hydroxypenta-1,3-dien-1-yl]-5-hydroxy-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

400.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R)-4-[(1E,3E)-4-{2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl}-5-hydroxypenta-1,3-dien-1-yl]-5-hydroxy-5H-furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₄

0 references

canonical SMILES

O=C1OC(O)C(C=CC=C(CO)CCC2=C(C)CCC3C2(C)CCCC3(C)C)=C1

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isomeric SMILES

CC1=C(CC/C(=C\C=C/C2=CC(=O)O[C@H]2O)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1

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found in taxon

Luffariella geometrica

1 reference

stated in

The Luffarins (A-Z), Novel Terpenes From an Australian Marine Sponge,Luffariella geometrica

Identifiers

InChI

InChI=1S/C25H36O4/c1-17-9-12-21-24(2,3)13-6-14-25(21,4)20(17)11-10-18(16-26)7-5-8-19-15-22(27)29-23(19)28/h5,7-8,15,21,23,26,28H,6,9-14,16H2,1-4H3/b8-5-,18-7+/t21-,23+,25+/m0/s1

0 references

InChIKey

IECRVGMSVPJFRV-PUYAFCMDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IECRVGMSVPJFRV-PUYAFCMDSA-N

(Q105111701)

(2R)-3-[(1Z,3E)-6-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-4-(hydroxymethyl)hexa-1,3-dienyl]-2-hydroxy-2H-furan-5-one

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