(Q105009600)

English

[3,6,9-Trimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

group of stereoisomers with the chemical formula C₂₉H₃₄O₁₁

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Statements

instance of

group of stereoisomers

0 references

subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

558.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₁

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)CC3=CC=C(O)C=C3)CC(=C)C4CC(OC5OC(CO)C(O)C(O)C5O)C(=C)C24

0 references

found in taxon

Crepis tingitana

1 reference

stated in

Studies on sesquiterpene glycosides from Crepis japonica BENTH.

Youngia japonica

1 reference

stated in

New guaiane, megastigmane and eudesmane-type sesquiterpenoids and anti-inflammatory constituents from Youngia japonica

Identifiers

InChI

InChI=1S/C29H34O11/c1-12-8-19(37-21(32)9-15-4-6-16(31)7-5-15)23-14(3)28(36)40-27(23)22-13(2)18(10-17(12)22)38-29-26(35)25(34)24(33)20(11-30)39-29/h4-7,17-20,22-27,29-31,33-35H,1-3,8-11H2

0 references

InChIKey

GJWZSERDLUJEOD-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJWZSERDLUJEOD-UHFFFAOYSA-N

(Q105009600)

[3,6,9-Trimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

Statements

Identifiers

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