None

AlkaPlorer ID: AK322552

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@@H](C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)C6=C(Br)C=CN6)[C@@H](C)O5)[C@@H](C)CC[C@@H]42)CCCC/C=C/[C@H]3C=C1C(=O)O

copy

InChI: InChI=1S/C43H55BrN2O10/c1-5-24-21-43-26(19-28(24)40(51)52)12-10-8-7-9-11-25-14-15-27-29(42(25,6-2)37(48)33(38(43)49)41(53)56-43)16-13-22(3)36(27)55-32-20-31(47)34(23(4)54-32)46-39(50)35-30(44)17-18-45-35/h10,12,14-15,17-19,22-27,29,31-32,34,36,45,47,49H,5-9,11,13,16,20-21H2,1-4H3,(H,46,50)(H,51,52)/b12-10+/t22-,23+,24-,25+,26-,27-,29-,31+,32-,34+,36-,42+,43-/m0/s1

copy

InChIKey: BILVAOULNRTMAM-ZPDYJJEJSA-N

copy

Reference

NPASS: NPC476516

Properties Information

Molecule Weight: 839.8209999999998

TPSA: 184.48

MolLogP: 6.865400000000007

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information