(Q105024988)

English

[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

group of stereoisomers with the chemical formula C₃₇H₅₆O₁₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

740.361921092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₁₅

0 references

canonical SMILES

O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C

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found in taxon

Trewia nudiflora

1 reference

stated in

Cardenolides and Cardiac Aglycone from the Stem Bark ofTrewia nudiflora

Identifiers

InChI

InChI=1S/C37H56O15/c1-16-32(52-34-30(44)28(42)27(41)24(14-38)51-34)29(43)31(45)33(48-16)50-20-7-9-35(3)19(12-20)5-6-22-21(35)8-10-36(4)26(18-11-25(40)47-15-18)23(49-17(2)39)13-37(22,36)46/h11,16,19-24,26-34,38,41-46H,5-10,12-15H2,1-4H3

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InChIKey

HAPQAPVIZTWVQY-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HAPQAPVIZTWVQY-UHFFFAOYSA-N

(Q105024988)

[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

Statements

Identifiers

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