(Q105032477)

English

[(4aS,5R,5'S,6R,8R)-5'-(furan-3-yl)-6-methyl-2'-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-5,3'-oxolane]-1-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

536.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₁₁

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canonical SMILES

O=C(OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)CC(C)C4(C(=O)OC(C5=COC=C5)C4)C2CCC1)C

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isomeric SMILES

CC(=O)OCC1=C2[C@H](CCC1)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Teucrium flavum

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stated in

A neo-clerodane glucoside and neo-clerodane diterpenoids from Teucrium flavum subsp. Glaucum

Identifiers

InChI

InChI=1S/C27H36O11/c1-13-8-18(36-25-24(32)23(31)22(30)20(10-28)37-25)21-16(12-35-14(2)29)4-3-5-17(21)27(13)9-19(38-26(27)33)15-6-7-34-11-15/h6-7,11,13,17-20,22-25,28,30-32H,3-5,8-10,12H2,1-2H3/t13-,17+,18-,19+,20-,22-,23+,24-,25-,27-/m1/s1

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InChIKey

HQWNBPDSSUVDMC-SUAWGPNASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HQWNBPDSSUVDMC-SUAWGPNASA-N

1 reference

(Q105032477)

[(4aS,5R,5'S,6R,8R)-5'-(furan-3-yl)-6-methyl-2'-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-5,3'-oxolane]-1-yl]methyl acetate

Statements

Identifiers

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