Molecule

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(1S,18S,19R,20S)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),3,5,7,9,15-hexaen-18-yl]oxy}oxan-2-yl]methyl acetate

AlkaPlorer ID: AK159390

Synonym: None

IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(1S,18S,19R,20S)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,15-hexaen-18-yl]oxy]oxan-2-yl]methyl acetate

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C2C(=O)N3CC4=CC5=CC=CC=C5N=C4[C@@H]3C[C@H]21

InChI: InChI=1S/C34H36N2O12/c1-6-22-23-12-26-28-21(11-20-9-7-8-10-25(20)35-28)13-36(26)32(41)24(23)14-43-33(22)48-34-31(46-19(5)40)30(45-18(4)39)29(44-17(3)38)27(47-34)15-42-16(2)37/h6-11,14,22-23,26-27,29-31,33-34H,1,12-13,15H2,2-5H3/t22-,23+,26+,27-,29-,30+,31-,33+,34+/m1/s1

InChIKey: WAJNXYSUFIVUGE-XLOZJSMUSA-N

Reference

Isolation and partial synthesis of 3(R)- and 3(S)-deoxypumiloside; structural revision of the key metabolite from the camptothecin producing plant, Ophiorrhiza pumila

PubChem CID: 15343940

LOTUS: LTS0096890

SuperNatural Ⅲ: SN0404937-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ophiorrhiza pumila	Ophiorrhiza	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 664.6640000000002

TPSA？: 166.09000000000003

MolLogP？: 2.780100000000002

Number of H-Donors: 0

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi