(Q104987147)

English

(1R,4R,5R,7S,9S,10R,13S)-7-hydroxy-5-(hydroxymethyl)-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-Hydroxy-5-(hydroxymethyl)-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-8-one

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

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

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isomeric SMILES

C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(C(=O)[C@@H](O)C[C@@]4(C)CO)[C@@H]3CC1)C2

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found in taxon

Erythroxylum microphyllum

1 reference

stated in

Diterpenes from the timber of 20 Erythroxylum species

Identifiers

InChI

InChI=1S/C20H30O3/c1-17-6-4-15-19(3)14(5-7-20(15,11-17)9-8-17)18(2,12-21)10-13(22)16(19)23/h8-9,13-15,21-22H,4-7,10-12H2,1-3H3/t13-,14+,15-,17+,18-,19+,20-/m0/s1

0 references

InChIKey

DQTUGGFVTHJSQF-AOBVEAKKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQTUGGFVTHJSQF-AOBVEAKKSA-N

(Q104987147)

(1R,4R,5R,7S,9S,10R,13S)-7-hydroxy-5-(hydroxymethyl)-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-8-one

Statements

Identifiers

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