(Q104951699)

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,3R)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester)

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

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,3R)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChIKey

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,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₇NO₉

0 references

canonical SMILES

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

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isomeric SMILES

COC(=O)[C@H](O)[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

A New Neolignan from Cephalotaxus koreana

Identifiers

InChI

InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24+,27+,28+/m1/s1

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InChIKey

CAOHZEUEVKYHPF-YOTDGRAYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CAOHZEUEVKYHPF-YOTDGRAYSA-N

(Q104951699)

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,3R)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate

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