(Q105030407)

English

(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl 2-hydroxy-3-methylbutanoate

group of stereoisomers with the chemical formula C₂₆H₃₆O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

524.2257619719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₃₆O₁₁

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(O)C(C)C)CC(=C)C3CC(OC4OC(CO)C(O)C(O)C4O)C(=C)C23

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isomeric SMILES

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

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Identifiers

InChI

InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3/t13-,14-,15+,16+,17-,18+,19?,20+,21-,22+,23+,26+/m0/s1

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InChIKey

HLZBRVYCKXUHSB-VUUNWOKMSA-N

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PubChem CID

122192022

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HLZBRVYCKXUHSB-VUUNWOKMSA-N

1 reference

(Q105030407)

(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl 2-hydroxy-3-methylbutanoate

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Identifiers

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