(Q105240747)

English

(3S,4aS,8R,8aS)-3-hydroxy-8-[(E)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-hydroxy-8-(5-hydroxy-3-methylpent-3-enyl)-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4aS,8R,8aR)-3-hydroxy-8-[(E)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₃

0 references

canonical SMILES

O=C1CC2(C)C(C(=CCC2C(C)(C)C1O)C)CCC(=CCO)C

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isomeric SMILES

CC1=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC/C(C)=C/CO

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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/C20H32O3/c1-13(10-11-21)6-8-15-14(2)7-9-17-19(3,4)18(23)16(22)12-20(15,17)5/h7,10,15,17-18,21,23H,6,8-9,11-12H2,1-5H3/b13-10 /t15-,17-,18-,20 /m1/s1

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InChIKey

RMFOHDNAEOCEQV-OXXHCNNESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RMFOHDNAEOCEQV-OXXHCNNESA-N

(Q105240747)

(3S,4aS,8R,8aS)-3-hydroxy-8-[(E)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one

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Identifiers

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