(Q105162285)

English

2-Methylisocrotonic acid [(2S)-6beta-hydroxy-2alpha,9abeta-dimethoxy-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan]-4beta-yl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-Hydroxy-2,9a-dimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

394.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₆

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canonical SMILES

O=C(OC1C2=C(C)C(OC)OC2(OC)CC3CCC(O)C(C)C13C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C2=C(C)[C@@H](OC)O[C@@]2(OC)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C

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found in taxon

Petasites japonicus

1 reference

stated in

Eremophilane-type sesquiterpenes from fresh rhizomes of Petasites japonicus

Identifiers

InChI

InChI=1S/C22H34O6/c1-8-12(2)19(24)27-18-17-13(3)20(25-6)28-22(17,26-7)11-15-9-10-16(23)14(4)21(15,18)5/h8,14-16,18,20,23H,9-11H2,1-7H3/b12-8-/t14-,15+,16-,18+,20-,21+,22-/m0/s1

0 references

InChIKey

MEKWGZJWKCYLQM-JPUWCAHSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MEKWGZJWKCYLQM-JPUWCAHSSA-N

1 reference

(Q105162285)

2-Methylisocrotonic acid [(2S)-6beta-hydroxy-2alpha,9abeta-dimethoxy-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan]-4beta-yl ester

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Identifiers

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