(Q104970794)

English

[(2R,3S,4S,5R,6R)-6-[[(3aS,6S,6aR,9aR,9bS)-6a-hydroxy-6-methyl-3-methylidene-2,7-dioxo-3a,4,5,6,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[(6a-Hydroxy-6-methyl-3-methylidene-2,7-dioxo-3a,4,5,6,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

1 reference

1 reference

574.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₂

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canonical SMILES

O=C1OC2C(C1=C)CCC(C)C3(O)C(=O)C=C(COC4OC(COC(=O)CC5=CC=C(O)C=C5)C(O)C(O)C4O)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CC[C@H](C)[C@]1(O)C(=O)C=C(CO[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21

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found in taxon

Crepidiastrum lanceolatum

1 reference

stated in

Lanceocrepidiasides A-F, glucosides of guaiane-type sesquiterpene from Crepidiastrum lanceolatum

Identifiers

InChI

InChI=1S/C29H34O12/c1-13-3-8-18-14(2)27(36)41-26(18)22-16(10-20(31)29(13,22)37)11-39-28-25(35)24(34)23(33)19(40-28)12-38-21(32)9-15-4-6-17(30)7-5-15/h4-7,10,13,18-19,22-26,28,30,33-35,37H,2-3,8-9,11-12H2,1H3/t13-,18-,19+,22+,23+,24-,25+,26-,28+,29-/m0/s1

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InChIKey

CVJWQIVIVIAFKM-DZVSTWMOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVJWQIVIVIAFKM-DZVSTWMOSA-N

(Q104970794)

[(2R,3S,4S,5R,6R)-6-[[(3aS,6S,6aR,9aR,9bS)-6a-hydroxy-6-methyl-3-methylidene-2,7-dioxo-3a,4,5,6,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

Statements

Identifiers

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