(Q82915939)

English

Methyl 4-(acetyloxy)-15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxyl ate

chemical compound

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type of chemical entity

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chemical compound

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mass

796.4047293719998 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₅₆N₄O₉

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based on heuristic

inferred from SMILES

canonical SMILES

CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)NC3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3

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InChIKey

OBEIXXHHUOSBLA-UHFFFAOYSA-N

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DSSTOX compound identifier

DTXCID401367960

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(Q82915939)

Methyl 4-(acetyloxy)-15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxyl ate

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