(Q105156235)

English

(3R)-3,7-dihydroxy-3-[[(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]oxycarbonyl]-7-methyloctanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4'-Demethyl Homoharringtonine-[13C,d3]

1 reference

based on heuristic

inferred from SMILES

(3R)-3,7-dihydroxy-3-({[(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]oxy}carbonyl)-7-methyloctanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

531.246831764 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4'-Demethyl Homoharringtonine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₇NO₉

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canonical SMILES

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

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isomeric SMILES

COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)O)OCO4

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found in taxon

Cephalotaxus harringtonii var. harringtonii

1 reference

stated in

Alkaloids from Cephalotaxus harringtonia

Cephalotaxus harringtonia

1 reference

stated in

Alkaloids from Cephalotaxus harringtonia

Cephalotaxus harringtonii

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stated in

Alkaloids from Cephalotaxus harringtonia

Identifiers

InChI

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

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InChIKey

LRNKGNYRSLLFRU-NFFAYCCRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LRNKGNYRSLLFRU-NFFAYCCRSA-N

(Q105156235)

(3R)-3,7-dihydroxy-3-[[(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]oxycarbonyl]-7-methyloctanoic acid

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Identifiers

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