(Q105311162)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3(R)-Deoxyharringtonine

1 reference

based on heuristic

inferred from SMILES

1-O-[(3S,6S)-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-methylbutyl)butanedioate

1 reference

1 reference

515.251917144 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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-methylbutyl)butanedioate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1-O-[(2S,3S,6S)-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-methylbutyl)butanedioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₇NO₈

0 references

canonical SMILES

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

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isomeric SMILES

COC(=O)C[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4

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found in taxon

Cephalotaxus harringtonii var. harringtonii

1 reference

stated in

Deoxyharringtonine, a new antitumor alkaloid from Cephalotaxus: Structure and synthetic studies

Identifiers

InChI

InChI=1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25+,27-,28+/m0/s1

0 references

InChIKey

WRCBXHDQHPUVHW-XKXQUDOTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105311162)

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

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Identifiers

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