(Q105171917)

English

[(E)-5-[(1S,2R,4aR,5S,7R,8aR)-7-acetyloxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-(7-acetyloxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-(acetyloxymethyl)pent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

464.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₇

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canonical SMILES

O=C(OCC=C(COC(=O)C)CCC1(C)C(C)CCC2(C)C(C(=O)C(OC(=O)C)CC21)C)C

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isomeric SMILES

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

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found in taxon

Baccharis boliviensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Baccharis bolivensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C26H40O7/c1-16-8-11-26(7)17(2)24(30)22(33-20(5)29)14-23(26)25(16,6)12-9-21(15-32-19(4)28)10-13-31-18(3)27/h10,16-17,22-23H,8-9,11-15H2,1-7H3/b21-10 /t16-,17-,22-,23-,25 ,26 /m1/s1

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InChIKey

MTWFPXOBKQPJJZ-BUSHPPCMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTWFPXOBKQPJJZ-BUSHPPCMSA-N

(Q105171917)

[(E)-5-[(1S,2R,4aR,5S,7R,8aR)-7-acetyloxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enyl] acetate

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