(Q104912171)

English

(6aR,7S,8R,10aS)-7-[2-[(3S,5R)-5-methoxyoxolan-3-yl]ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-[2-(5-methoxyoxolan-3-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

1 reference

based on heuristic

inferred from SMILES

mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6aR,7S,8R,10aS)-7-[2-[(3S,5S)-5-methoxyoxolan-3-yl]ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₁H₃₂O₄

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canonical SMILES

O=C1OCC23C1=CCCC2C(C)(CCC4COC(OC)C4)C(C)CC3

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isomeric SMILES

CO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]34COC(=O)C3=CCC[C@@H]42)CO1

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found in taxon

Baccharis trinervis

1 reference

stated in

Neo-clerodane type diterpenes from Baccharis trinervis

Baccharis rufidula

1 reference

stated in

Neo-clerodane type diterpenes from Baccharis trinervis

Identifiers

InChI

InChI=1S/C21H32O4/c1-14-7-10-21-13-25-19(22)16(21)5-4-6-17(21)20(14,2)9-8-15-11-18(23-3)24-12-15/h5,14-15,17-18H,4,6-13H2,1-3H3/t14-,15+,17-,18-,20+,21-/m1/s1

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InChIKey

AHCLMOYDFNPXEO-URHBSNRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AHCLMOYDFNPXEO-URHBSNRWSA-N

(Q104912171)

(6aR,7S,8R,10aS)-7-[2-[(3S,5R)-5-methoxyoxolan-3-yl]ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

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Identifiers

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