(Q110185435)

English

[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

group of stereoisomers with the chemical formula C₃₅H₄₄N₂O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

652.299595608 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₄₄N₂O₁₀

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canonical SMILES

O=C(OCC12C=NC3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC)C=7C=CC=CC7N8C(=O)CC(C8=O)C

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isomeric SMILES

CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](OC)[C@@H]1C[C@H]3[C@]13C4N=C[C@](COC(=O)c5ccccc5N5C(=O)CC(C)C5=O)(CC[C@@H]1OC)[C@H]3[C@H](OC)[C@@]42O

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Identifiers

InChI

InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17?,19-,20-,22+,23+,25-,26+,27-,28+,31?,32+,33-,34+,35-/m1/s1

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InChIKey

ZXTOPWJFZABXSX-RFLWDBSASA-N

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PubChem CID

44559720

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based on heuristic

inferred from InChIKey

ChEBI ID

177828

mapping relation type

exact match

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stated in

ChEBI release 2022-06-13

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(Q110185435)

[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

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