(Q105160332)

English

[(3aR,4R,6aR,8S,9aR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4S,5S,6R)-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-hydroxy-3-(4-hydroxyphenyl)propanoate

group of stereoisomers with the chemical formula C₃₀H₃₆O₁₂

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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

588.2206765919998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₆O₁₂

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canonical SMILES

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

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isomeric SMILES

C=C1C[C@@H](OC(=O)C(O)Cc2ccc(O)cc2)[C@H]2C(=C)C(=O)OC2[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/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18?,19-,20+,21+,22-,23+,24+,25-,26+,27?,30+/m0/s1

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InChIKey

MAHPANYZARJSAV-ZMBNOBQYSA-N

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PubChem CID

134715127

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MAHPANYZARJSAV-ZMBNOBQYSA-N

1 reference

(Q105160332)

[(3aR,4R,6aR,8S,9aR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4S,5S,6R)-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-hydroxy-3-(4-hydroxyphenyl)propanoate

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