(Q105030226)

English

4-O-[5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] 1-O-methyl butanedioate

group of stereoisomers with the chemical formula C₃₁H₄₀O₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

556.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₀O₉

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canonical SMILES

O=C1OC=C(C=C1)C2C(OC(=O)C)C3OC34C5CCC6CC(OC(=O)CCC(=O)OC)CCC6(C)C5CCC24C

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found in taxon

Common toad

1 reference

stated in

Isolation and characterization of cinobufagin 3-glutaroyl-L-arginine ester from Bufo bufo gargarizans Cantor.

Asiatic toad

1 reference

stated in

Isolation and characterization of cinobufagin 3-glutaroyl-L-arginine ester from Bufo bufo gargarizans Cantor.

Identifiers

InChI

InChI=1S/C31H40O9/c1-17(32)38-27-26(18-5-8-24(34)37-16-18)30(3)14-12-21-22(31(30)28(27)40-31)7-6-19-15-20(11-13-29(19,21)2)39-25(35)10-9-23(33)36-4/h5,8,16,19-22,26-28H,6-7,9-15H2,1-4H3

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InChIKey

HLNMELUUOTWQDF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HLNMELUUOTWQDF-UHFFFAOYSA-N

(Q105030226)

4-O-[5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] 1-O-methyl butanedioate

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Identifiers

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