(Q105286008)

English

3-[(E)-[(2S,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]methyl]-2,5,6-trihydroxybenzaldehyde

group of stereoisomers with the chemical formula C₂₂H₃₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

drimane sesquiterpenoid

1 reference

inferred from

drimane sesquiterpenoid

mass

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₄

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canonical SMILES

O=CC=1C(O)=C(O)C=C(C=C2C(C)CCC3C2(C)CCCC3(C)C)C1O

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isomeric SMILES

C[C@H]1CCC2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1O

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found in taxon

Siphonodictyon coralliphagum

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stated in

Bioactive metabolites from the Caribbean sponge Aka coralliphagum.

Identifiers

InChI

InChI=1S/C22H30O4/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)20(26)15(12-23)19(14)25/h10-13,18,24-26H,5-9H2,1-4H3/b16-10+/t13-,18?,22+/m0/s1

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InChIKey

VGSQRECMCPQJNS-QGKRBUCPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGSQRECMCPQJNS-QGKRBUCPSA-N

1 reference

(Q105286008)

3-[(E)-[(2S,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]methyl]-2,5,6-trihydroxybenzaldehyde

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Identifiers

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