(Q105252178)

English

[(2S,4S,4aS,8aR)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-(5-hydroxy-3-methylpent-3-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5beta,9alpha,10alpha)-7beta-Acetoxylabda-8(20),13-diene-15-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₃

0 references

canonical SMILES

O=C(OC1C(=C)C(CCC(=CCO)C)C2(C)CCCC(C)(C)C2C1)C

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isomeric SMILES

C=C1[C@@H](OC(C)=O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO

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found in taxon

Austroeupatorium chaparense

1 reference

stated in

Neue ent-labdan-derivate aus Austroeupatorium chaparense

Identifiers

InChI

InChI=1S/C22H36O3/c1-15(10-13-23)8-9-18-16(2)19(25-17(3)24)14-20-21(4,5)11-7-12-22(18,20)6/h10,18-20,23H,2,7-9,11-14H2,1,3-6H3/b15-10+/t18-,19+,20-,22-/m1/s1

0 references

InChIKey

SFZUJTYVNLNPFE-HWFNCBLRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SFZUJTYVNLNPFE-HWFNCBLRSA-N

(Q105252178)

[(2S,4S,4aS,8aR)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate

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