(Q105134391)

English

(1S,3R,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one

chemical compound

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type of chemical entity

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subclass of

5-[2-(furan-3-yl)ethyl]-3-hydroxy-1,5,6,8a-tetramethyl-hexahydro-1H-naphthalen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C1C(O)CC2C(C)(CCC(C)C2(C)CCC3=COC=C3)C1C

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isomeric SMILES

C[C@@H]1C(=O)[C@H](O)C[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1

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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/C20H30O3/c1-13-5-8-20(4)14(2)18(22)16(21)11-17(20)19(13,3)9-6-15-7-10-23-12-15/h7,10,12-14,16-17,21H,5-6,8-9,11H2,1-4H3/t13-,14-,16-,17-,19 ,20-/m1/s1

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InChIKey

JSJAQPXCRQOCSF-NTSLAIKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JSJAQPXCRQOCSF-NTSLAIKJSA-N

(Q105134391)

(1S,3R,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one

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