(Q105137420)

English

methyl 2-[(1R,2S,6R,10S,11R,15R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadeca-7,13-dien-10-yl]acetate

group of stereoisomers with the chemical formula C₂₇H₃₀O₇

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instance of

group of stereoisomers

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subclass of

ring-cleaved tetranortriterpenoid

1 reference

inferred from

ring-cleaved tetranortriterpenoid

mass

466.1991532999999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₀O₇

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canonical SMILES

O=C(OC)CC1C2(C(=O)C=CC3(C(=O)OC(C4OC5C(=C(C)C(C6=COC=C6)C5)C41C)C32)C)C

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isomeric SMILES

COC(=O)C[C@H]1C2(C)C3=C(C)[C@H](c4ccoc4)CC3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)C23

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Identifiers

InChI

InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15-,16?,17-,21-,22?,23-,25-,26+,27?/m1/s1

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InChIKey

JZIQWNPPBKFOPT-OEXPPUTCSA-N

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PubChem CID

163194059

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JZIQWNPPBKFOPT-OEXPPUTCSA-N

(Q105137420)

methyl 2-[(1R,2S,6R,10S,11R,15R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadeca-7,13-dien-10-yl]acetate

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Identifiers

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