(Q105100571)

English

methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate

group of stereoisomers with the chemical formula C₃₆H₃₈N₄O₅

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instance of

group of stereoisomers

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1 reference

606.284220316 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₈N₄O₅

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canonical SMILES

O=C(OC)CCC1C=2N=C(C=C3NC(=CC=4NC(C=C5N=C6C(C(=O)C(C(=O)OC)C62)=C5C)=C(C4C)CC)C(C=C)=C3C)C1C

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found in taxon

Clerodendrum calamitosum

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stated in

Cytotoxic pheophorbide-related compounds from Clerodendrum calamitosum and C. cyrtophyllum

Clerodendrum cyrtophyllum

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stated in

Cytotoxic pheophorbide-related compounds from Clerodendrum calamitosum and C. cyrtophyllum

Identifiers

InChI

InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3

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InChIKey

BDUAKLHVCJVMNM-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105100571)

methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate

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