(Q105327034)

English

2,4-Dihydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-6-pentylbenzoic acid 1-methyl-1-[(2R)-4aalpha,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2alpha-yl]ethyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-yl 3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-pentylbenzoate

1 reference

based on heuristic

inferred from SMILES

mass

564.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₄

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canonical SMILES

O=C(OC(C)(C)C1CC2=C(C)CCCC2(C)CC1)C3=C(O)C(=C(O)C=C3CCCCC)CC=C(C)CCC=C(C)C

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isomeric SMILES

CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1

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found in taxon

Cannabis sativa

1 reference

stated in

Cannabinoid ester constituents from high-potency Cannabis sativa

Identifiers

InChI

InChI=1S/C37H56O4/c1-9-10-11-17-28-23-32(38)30(19-18-26(4)15-12-14-25(2)3)34(39)33(28)35(40)41-36(6,7)29-20-22-37(8)21-13-16-27(5)31(37)24-29/h14,18,23,29,38-39H,9-13,15-17,19-22,24H2,1-8H3/b26-18+/t29-,37-/m1/s1

0 references

InChIKey

XFHILZJWJRPXJU-FYNDAFEESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XFHILZJWJRPXJU-FYNDAFEESA-N

1 reference

(Q105327034)

2,4-Dihydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-6-pentylbenzoic acid 1-methyl-1-[(2R)-4aalpha,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2alpha-yl]ethyl ester

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Identifiers

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