(Q63408611)

English

1-O-[(2S,3S,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 (2S)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

Alkaloid C from cephalotaxus

1 reference

based on heuristic

inferred from SMILES

mass

531.246831764 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

CC(C)(CC[C@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O

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found in taxon

Cephalotaxus harringtonii var. harringtonii

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stated in

A New Neolignan from Cephalotaxus koreana

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-ZBVBGGFBSA-N

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PubChem CID

29927670

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matched by identifier from

InChIKey

HAVJATCHLFRDHY-ZBVBGGFBSA-N

1 reference

MassBank accession ID

MSBNK-Washington_State_Univ-BML82380

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MSBNK-Washington_State_Univ-BML82381

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MSBNK-Washington_State_Univ-BML82382

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Probes And Drugs ID

PD118272

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(Q63408611)

1-O-[(2S,3S,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 (2S)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate

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