(Q104953856)

English

methyl (19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoacetyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

cyclic tetrapyrrole

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mass

652.28969962 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₀N₄O₇

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canonical SMILES

O=C(OC)C(=O)C=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC1C(C(=O)OC)=C5C)C(=C4C)CC)=C(C=C)C3C)C(C)C2CCC(=O)OC

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isomeric SMILES

C=Cc1c(C)c2cc3nc(c(C(=O)C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C

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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

Identifiers

InChI

InChI=1S/C37H40N4O7/c1-10-21-17(3)24-14-26-19(5)23(12-13-30(42)46-7)33(40-26)32(35(43)37(45)48-9)34-31(36(44)47-8)20(6)27(41-34)16-29-22(11-2)18(4)25(39-29)15-28(21)38-24/h10,14-16,19,23,38,41H,1,11-13H2,2-9H3/t19-,23-/m0/s1

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InChIKey

CCVDEFXTCMRJQH-CVDCTZTESA-N

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(Q104953856)

methyl (19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoacetyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylate

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Identifiers

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