(Q105347226)

English

[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

494.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₄

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canonical SMILES

O=C(OC1CC2CCC1(C)C2(C)C)C3=C(O)C4=C(OC(C)(C)C5CCC(=CC45)C)C=C3CCCCC

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isomeric SMILES

CCCCCc1cc2c(c(O)c1C(=O)O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2

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found in taxon

Cannabis sativa

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stated in

Cannabinoid ester constituents from high-potency Cannabis sativa

Identifiers

InChI

InChI=1S/C32H46O4/c1-8-9-10-11-20-17-24-27(22-16-19(2)12-13-23(22)31(5,6)36-24)28(33)26(20)29(34)35-25-18-21-14-15-32(25,7)30(21,3)4/h16-17,21-23,25,33H,8-15,18H2,1-7H3/t21-,22-,23-,25+,32+/m1/s1

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InChIKey

YEGSYHNTNPSTNB-MDPPOICFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YEGSYHNTNPSTNB-MDPPOICFSA-N

1 reference

(Q105347226)

[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate

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Identifiers

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