(Q104391308)

English

1-O-[(2S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate

group of stereoisomers with the chemical formula C₂₈H₃₇NO₉

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instance of

group of stereoisomers

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subclass of

cephalotaxine-like alkaloid

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inferred from

cephalotaxine-like alkaloid

mass

531.2468317639999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₇NO₉

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canonical SMILES

O=C(OC)CC(O)(C(=O)OC1C(OC)=CC23N(CCC4=CC=5OCOC5C=C4C12)CCC3)CCC(O)(C)C

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isomeric SMILES

COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)OC1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4

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Identifiers

InChI

InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24?,27+,28-/m1/s1

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InChIKey

HAVJATCHLFRDHY-WGPYEGLQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HAVJATCHLFRDHY-WGPYEGLQSA-N

1 reference

(Q104391308)

1-O-[(2S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate

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