(Q104973173)

English

[(E)-5-[(1R,4aR,7S,8aR)-7-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

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type of chemical entity

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subclass of

[5-(7-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-5-[(1R,4aR,7S,8aS)-7-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(E)-5-[(1R,4aR,7R,8aS)-7-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5beta,9alpha,10alpha)-15-Acetoxylabda-7,13-diene-2beta-ol

1 reference

based on heuristic

inferred from InChI

[(E)-5-[(1R,4aS,7R,8aR)-7-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₃

0 references

canonical SMILES

O=C(OCC=C(C)CCC1C(=CCC2C(C)(C)CC(O)CC12C)C)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C

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found in taxon

Baccharis gnidiifolia

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C22H36O3/c1-15(11-12-25-17(3)23)7-9-19-16(2)8-10-20-21(4,5)13-18(24)14-22(19,20)6/h8,11,18-20,24H,7,9-10,12-14H2,1-6H3/b15-11 /t18-,19 ,20 ,22-/m0/s1

0 references

InChIKey

CZUWIMDOXXXJRE-SHPISUKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CZUWIMDOXXXJRE-SHPISUKRSA-N

(Q104973173)

[(E)-5-[(1R,4aR,7S,8aR)-7-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

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