(Q105008604)

English

(1R,4R,9R,10R,13R)-7-hydroxy-13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-6,14-dien-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-Hydroxy-13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-6,14-dien-8-one

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C1C(O)=CC(C)(C)C2CCC34C=CC(CO)(CCC3C12C)C4

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isomeric SMILES

CC1(C)C=C(O)C(=O)[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](CO)(CC[C@H]12)C3

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found in taxon

Erythroxylum argentinum

1 reference

stated in

Diterpenes from the timber of 20 Erythroxylum species

Erythroxylum microphyllum

1 reference

stated in

Diterpenes from the timber of 20 Erythroxylum species

Identifiers

InChI

InChI=1S/C20H28O3/c1-17(2)10-13(22)16(23)18(3)14(17)5-7-20-9-8-19(11-20,12-21)6-4-15(18)20/h8-10,14-15,21-22H,4-7,11-12H2,1-3H3/t14-,15+,18-,19+,20+/m1/s1

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InChIKey

GHLFVVDQYPMRRI-LEEVSCAKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GHLFVVDQYPMRRI-LEEVSCAKSA-N

(Q105008604)

(1R,4R,9R,10R,13R)-7-hydroxy-13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-6,14-dien-8-one

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