(Q105222943)

English

[(4aR,5S,6R,8aR)-5-[2-[(3S,5S)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

chemical compound

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instance of

type of chemical entity

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subclass of

[5-[2-(5-Methoxyoxolan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

1 reference

based on heuristic

inferred from SMILES

mass

336.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4aR,5S,6R,8aR)-5-[2-[(3S,5R)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

1 reference

based on heuristic

inferred from InChI

[(4aR,5S,6R,8aR)-5-[2-[(3R,5R)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₆O₃

0 references

canonical SMILES

OCC1=CCCC2C1(C)CCC(C)C2(C)CCC3COC(OC)C3

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isomeric SMILES

CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(CO)=CCC[C@H]23)CO1

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found in taxon

Baccharis rufidula

1 reference

stated in

Neo-clerodane type diterpenes from Baccharis trinervis

Baccharis trinervis

1 reference

stated in

Neo-clerodane type diterpenes from Baccharis trinervis

Identifiers

InChI

InChI=1S/C21H36O3/c1-15-8-10-21(3)17(13-22)6-5-7-18(21)20(15,2)11-9-16-12-19(23-4)24-14-16/h6,15-16,18-19,22H,5,7-14H2,1-4H3/t15-,16+,18-,19+,20+,21+/m1/s1

0 references

InChIKey

QJWMWEZKMZTCAP-JWPBWTMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QJWMWEZKMZTCAP-JWPBWTMGSA-N

(Q105222943)

[(4aR,5S,6R,8aR)-5-[2-[(3S,5S)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

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