(Q105283935)

English

(2R,3S)-2,3-Dihydroxy-2-isopentylsuccinic acid 1-[[(1S,3aR,14bS)-1,5,6,8,9,14bbeta-hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin]-1alpha-yl] ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,3-Dihydroxy-3-[(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]-6-methylheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

517.2311817 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₅NO₉

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Cephalotaxus harringtonii var. harringtonii

2 references

stated in

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

stated in

Alkaloids from Cephalotaxus harringtonia

Identifiers

InChI

InChI=1S/C27H35NO9/c1-15(2)5-8-27(33,23(29)24(30)31)25(32)37-22-20(34-3)13-26-7-4-9-28(26)10-6-16-11-18-19(36-14-35-18)12-17(16)21(22)26/h11-13,15,21-23,29,33H,4-10,14H2,1-3H3,(H,30,31)/t21-,22-,23-,26+,27-/m1/s1

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InChIKey

VCSZKKUHJJTFNB-IHCLGANWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VCSZKKUHJJTFNB-IHCLGANWSA-N

1 reference

(Q105283935)

(2R,3S)-2,3-Dihydroxy-2-isopentylsuccinic acid 1-[[(1S,3aR,14bS)-1,5,6,8,9,14bbeta-hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin]-1alpha-yl] ester

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Identifiers

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