(Q105186073)

English

[(1R,2R,3R,4S,5R,6S,8R,9R,10R,13R,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

group of stereoisomers with the chemical formula C₃₄H₄₈N₂O₉

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instance of

group of stereoisomers

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1 reference

628.335981116 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₄₈N₂O₉

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canonical SMILES

CCN1CC2(COC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14

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isomeric SMILES

CCN1C[C@@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34C2[C@H](OC)[C@](O)([C@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC

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Identifiers

InChI

InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27?,28+,30-,31-,32-,33-,34+/m1/s1

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InChIKey

NUXFDCYXMLVOFU-VKRPNCOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NUXFDCYXMLVOFU-VKRPNCOYSA-N

(Q105186073)

[(1R,2R,3R,4S,5R,6S,8R,9R,10R,13R,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

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