(Q105209501)

English

4-{7-[(5-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5H-furan-2-one

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

828.414350588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₄O₁₇

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(COC8OCC(O)(CO)C8O)C(O)C(O)C7O)C(OC)C6O)CCC5(C)C4CCC23C

0 references

found in taxon

Cerbera manghas

1 reference

stated in

Studies on cerbera. IV. Polar cardenolide glycosides from the leaves of Cerbera odollam and Cerbera manghas.

Identifiers

InChI

InChI=1S/C41H64O17/c1-19-32(58-35-30(46)29(45)28(44)26(57-35)16-53-37-34(48)40(49,17-42)18-54-37)33(51-4)31(47)36(55-19)56-22-7-10-38(2)21(14-22)5-6-25-24(38)8-11-39(3)23(9-12-41(25,39)50)20-13-27(43)52-15-20/h13,19,21-26,28-37,42,44-50H,5-12,14-18H2,1-4H3

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InChIKey

PIGKHGWUDBMAES-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PIGKHGWUDBMAES-UHFFFAOYSA-N

(Q105209501)

4-{7-[(5-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5H-furan-2-one

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Identifiers

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