Navigation

name Structure Reference Source Properties Activities Metabolism

[(1S,3R,16S,18S,19R,20R,21R,22S,23R,24R,25R,26R)-19,20,22,23,25-pentakis(acetyloxy)-26-hydroxy-3,16,26-trimethyl-6,15-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

AlkaPlorer ID: AK250980

Synonym: None

IUPAC Name: [(1S,3R,16S,18S,19R,20R,21R,22S,23R,24R,25R,26R)-19,20,22,23,25-pentaacetyloxy-26-hydroxy-3,16,26-trimethyl-6,15-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CCC(=O)[C@H](C)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O

copy

InChI: InChI=1S/C38H47NO18/c1-17-26(46)13-12-25-24(11-10-14-39-25)34(47)50-15-35(8)27-28(52-19(3)41)32(55-22(6)44)37(16-49-18(2)40)33(56-23(7)45)29(53-20(4)42)31(51-17)36(9,48)38(37,57-35)30(27)54-21(5)43/h10-11,14,17,27-33,48H,12-13,15-16H2,1-9H3/t17-,27+,28+,29-,30+,31-,32+,33-,35-,36+,37+,38-/m0/s1

copy

InChIKey: MKBQPQRKKGIVKB-WRUJPEORSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Tripterygium wilfordii Tripterygium Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 805.7830000000002

TPSA？: 252.75

MolLogP？: 0.6575000000000055

Number of H-Donors: 1

Number of H-Acceptors: 19

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information