(Q105163744)

English

[(3aR,4S,5aR,6S,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-(hydroxymethyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₆

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canonical SMILES

O=C(OC1CC2(C)C(O)CCC(=C)C2C3OC(=O)C(=C)C13)C(=C)CO

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isomeric SMILES

C=C(CO)C(=O)O[C@H]1C[C@@]2(C)[C@@H](O)CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12

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found in taxon

Jefea phyllocephala

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, 117: Neue Sandaracopimardien-Derivate, Sesquiterpene und Sesquiterpenlactone ausZexmenia-Arten

Identifiers

InChI

InChI=1S/C19H24O6/c1-9-5-6-13(21)19(4)7-12(24-17(22)10(2)8-20)14-11(3)18(23)25-16(14)15(9)19/h12-16,20-21H,1-3,5-8H2,4H3/t12-,13-,14+,15+,16-,19-/m0/s1

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InChIKey

MHDVLFZPAOBMJD-GTPBXFKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHDVLFZPAOBMJD-GTPBXFKWSA-N

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