(Q105314222)

English

[(1S,4S,5R,9R,10S,13S,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol

chemical compound

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instance of

type of chemical entity

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subclass of

(5,9,13-Trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl)methanol

1 reference

based on heuristic

inferred from SMILES

mass

304.240230264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4R,5S,9S,10R,13R,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4S,5S,9R,10S,13S,14R,16S)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₂

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canonical SMILES

OCC1(C)CCCC2(C)C1CCC34CC(C)(CCC23)C5OC54

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isomeric SMILES

C[C@]12CC[C@@H]3[C@](CC[C@@H]4[C@](C)(CO)CCC[C@@]34C)(C1)[C@H]1O[C@H]12

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found in taxon

Baccharis tola

1 reference

stated in

Diterpenoids from Baccharis tola

Identifiers

InChI

InChI=1S/C20H32O2/c1-17-9-5-14-19(3)8-4-7-18(2,12-21)13(19)6-10-20(14,11-17)16-15(17)22-16/h13-16,21H,4-12H2,1-3H3/t13-,14+,15-,16+,17+,18+,19-,20+/m1/s1

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InChIKey

WWQSLMHDPLEJSY-LZAHKMPMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WWQSLMHDPLEJSY-LZAHKMPMSA-N

1 reference

(Q105314222)

[(1S,4S,5R,9R,10S,13S,14S,16R)-5,9,13-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol

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