(Q105311159)

English

Deoxyharringtonine

chemical compound

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instance of

type of chemical entity

0 references

1 reference

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

based on heuristic

inferred from SMILES

3(R)-Deoxyharringtonine

1 reference

based on heuristic

inferred from SMILES

mass

515.251917144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

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

0 references

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

0 references

found in taxon

Cephalotaxus harringtonii var. harringtonii

4 references

stated in

Cephalezomines A–F, Potent Cytotoxic Alkaloids from Cephalotaxus harringtonia var. nana

stated in

Cephastigiamide A, and Antiplasmodial Activity of Cephalotaxus Alkaloids from Cephalotaxus harringtonia Forma Fastigiata

stated in

Ester-type cephalotaxus alkaloids from Cephalotaxus harringtonia var. drupacea

stated in

Alkaloids from Cephalotaxus harringtonia

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-/m1/s1

0 references

InChIKey

WRCBXHDQHPUVHW-QKBZBAIHSA-N

0 references

CAS Registry Number

36804-95-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WRCBXHDQHPUVHW-QKBZBAIHSA-N

1 reference

1 reference

matched by identifier from

InChIKey

WRCBXHDQHPUVHW-QKBZBAIHSA-N

(Q105311159)

Deoxyharringtonine

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Identifiers

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