(Q105254133)

English

3-[6b-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₆H₅₄O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

694.356441788 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₁₃

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canonical SMILES

O=C1OCC(=C1)C2C(=C)C3CC4C(CCC5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)CCC54C)C3(O)CC2

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found in taxon

Thevetia neriifolia

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stated in

Minor iridoids from Thevetia peruviana

Cascabela thevetia

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stated in

Minor iridoids from Thevetia peruviana

Thevetia peruviana

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stated in

Minor iridoids from Thevetia peruviana

Identifiers

InChI

InChI=1S/C36H54O13/c1-16-21(18-11-26(38)45-15-18)8-10-36(43)22-6-5-19-12-20(7-9-35(19,3)24(22)13-23(16)36)47-34-30(42)32(44-4)31(17(2)46-34)49-33-29(41)28(40)27(39)25(14-37)48-33/h11,17,19-25,27-34,37,39-43H,1,5-10,12-15H2,2-4H3

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InChIKey

SIYQYZAFOVBXKP-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SIYQYZAFOVBXKP-UHFFFAOYSA-N

(Q105254133)

3-[6b-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

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