(Q105178082)

English

(7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),10,17,20(25),21,23,27-nonaene-5,26-dione

group of stereoisomers with the chemical formula C₂₉H₂₄ClNO₁₁

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instance of

group of stereoisomers

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1 reference

597.103788268 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₂₄ClNO₁₁

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canonical SMILES

O=C1C2=CC=C(Cl)C(OC)=C2OC3=C4OCOC5C4=C(C(O)=C13)C6=C(O)C=7C(=O)N(C)C(OC)C(O)C7C=C6C5OC

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isomeric SMILES

COc1c(Cl)ccc2c(=O)c3c(O)c4c5c(c3oc12)OCOC5[C@@H](OC)c1cc2c(c(O)c1-4)C(=O)N(C)[C@H](OC)[C@@H]2O

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Identifiers

InChI

InChI=1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42-27/h5-7,19,22,25,29,33-35H,8H2,1-4H3/t19-,22+,25?,29-/m1/s1

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InChIKey

NEOMIZJYHXSRLV-AKMKAUCSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NEOMIZJYHXSRLV-AKMKAUCSSA-N

(Q105178082)

(7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),10,17,20(25),21,23,27-nonaene-5,26-dione

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