(Q104955624)

English

(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9beta-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9alpha-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2C(O)C3CCC(O)C(C)C13C)C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Petasites japonicus

1 reference

stated in

Structures of New Eremophilane Derivatives from the Rhizomes of Petasites japonicus MAXIM.

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-9(2)18(23)26-17-14-10(3)19(24)25-16(14)15(22)12-7-8-13(21)11(4)20(12,17)5/h6,11-13,15-17,21-22H,7-8H2,1-5H3/b9-6-/t11-,12+,13-,15+,16-,17+,20+/m0/s1

0 references

InChIKey

CEFVJFNDUOLSEQ-QQFXRVDWSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

CEFVJFNDUOLSEQ-QQFXRVDWSA-N

1 reference

(Q104955624)

(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9beta-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester

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