(Q105145202)

English

[2-[[(1S,2S,3S,4R,7R,8S,10E,12S,14S)-2,14-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9,17-dimethylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-12-yl]oxy]-2-oxoethyl] (2S)-2-methylbutanoate

group of stereoisomers with the chemical formula C₃₁H₄₁ClO₁₁

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instance of

group of stereoisomers

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1 reference

624.233739812 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₁ClO₁₁

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canonical SMILES

O=C(OC1CCC(=C)C2C(OC(=O)C)C3(O)C(OC(=O)C3C)C(Cl)C(=C)C=CC(OC(=O)COC(=O)C(C)CC)C12C)C

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isomeric SMILES

C=C1/C=C/[C@H](OC(=O)COC(=O)[C@@H](C)CC)C2(C)[C@@H](OC(C)=O)CCC(=C)[C@@H]2[C@H](OC(C)=O)[C@@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl

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Identifiers

InChI

InChI=1S/C31H41ClO11/c1-9-15(2)28(36)39-14-23(35)42-22-13-11-17(4)25(32)27-31(38,18(5)29(37)43-27)26(41-20(7)34)24-16(3)10-12-21(30(22,24)8)40-19(6)33/h11,13,15,18,21-22,24-27,38H,3-4,9-10,12,14H2,1-2,5-8H3/b13-11+/t15-,18-,21-,22-,24+,25-,26-,27-,30?,31-/m0/s1

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InChIKey

KRSRSVXCOOXXNY-UKFBZHAASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRSRSVXCOOXXNY-UKFBZHAASA-N

(Q105145202)

[2-[[(1S,2S,3S,4R,7R,8S,10E,12S,14S)-2,14-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9,17-dimethylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-12-yl]oxy]-2-oxoethyl] (2S)-2-methylbutanoate

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