(Q104402251)

English

[(1R,2S,3S,4R,5R,6S,7S,8S,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

group of stereoisomers with the chemical formula C₃₃H₄₅NO₁₂

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instance of

group of stereoisomers

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647.2941758799998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₄₅NO₁₂

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canonical SMILES

O=C(OC1C2C3(O)CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C53C(OC)CC6O)C=7C=CC=CC7

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isomeric SMILES

COC[C@]12CN(C)C3C4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@]1(O)C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1

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Identifiers

InChI

InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20?,21+,22-,23+,24?,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1

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InChIKey

GPTAWZLFSGYZGC-AKAIBHOKSA-N

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26 December 2021

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(Q104402251)

[(1R,2S,3S,4R,5R,6S,7S,8S,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

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