(Q105287512)

English

(3aR)-2,3,3abeta,4,5,7,8,9,9abeta,9balpha-Decahydro-4beta-[(4-hydroxybenzyl)carbonyloxy]-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-9beta-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

410.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,9S,9aS,9bR)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₂O₇

0 references

canonical SMILES

O=CC1CC(=O)C2=C(C)CC(OC(=O)CC3=CC=C(O)C=C3)C4C(=C)C(=O)OC4C21

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H]12)C(=O)C[C@H]3C=O

0 references

found in taxon

Cichorium intybus

1 reference

stated in

Guaianolides from Cichorium intybus and structure revision of Cichorium sesquiterpene lactones

Identifiers

InChI

InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,10,14,17,20-22,25H,2,7-9H2,1H3/t14-,17-,20+,21-,22-/m0/s1

0 references

InChIKey

VJUBMORWJMSGDS-JNRDVGFFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105287512)

(3aR)-2,3,3abeta,4,5,7,8,9,9abeta,9balpha-Decahydro-4beta-[(4-hydroxybenzyl)carbonyloxy]-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-9beta-carbaldehyde

Statements

Identifiers

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