(Q105006892)

English

[(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

0 references

mass

398.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₄

0 references

canonical SMILES

O=C(OC1C=C(C)CCC2(O)C(CCC12C)C(C)C)C=CC3=CC=C(OC)C=C3

0 references

isomeric SMILES

COc1ccc(/C=C/C(=O)O[C@@H]2C=C(C)CC[C@]3(O)[C@@H](C(C)C)CC[C@]23C)cc1

0 references

found in taxon

Cyclachaena xanthifolia

2 references

stated in

Neue germacren-derivate aus Senecio-arten

stated in

Neue labdan-derivate aus Chrysothamnus nauseusus

Identifiers

InChI

InChI=1S/C25H34O4/c1-17(2)21-13-14-24(4)22(16-18(3)12-15-25(21,24)27)29-23(26)11-8-19-6-9-20(28-5)10-7-19/h6-11,16-17,21-22,27H,12-15H2,1-5H3/b11-8+/t21-,22-,24-,25+/m1/s1

0 references

InChIKey

GDQZFXWQGZEVMD-OTMLVFTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GDQZFXWQGZEVMD-OTMLVFTFSA-N

(Q105006892)

[(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Statements

Identifiers

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