Analytenname

Phomopsin A

CAS-Nummer

64925-80-0

Molekularformel

C36H45ClN6O12

Molekulargewicht

789.23

Genaue Masse

788.2784

SMILES

CC\C(=C(\NC(=O)[C@H]1CN(C=C1)C(=O)[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC)[C@@H](O)c3cc(Cl)c(O)c(O[C@]2(C)CC)c3)C(=C)C)/C(=O)N\C(=C\C(=O)O)\C(=O)O)\C

InChI

InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-21(35(53)54)14-23(44)45)41-30(48)18-10-11-43(15-18)34(52)29-36(6,9-2)55-22-13-19(12-20(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-14,18,24,26-27,29,38,46-47H,3,8-9,15H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b21-14+,25-17+/t18-,24+,26+,27+,29+,36-/m1/s1

IUPAC

(E)-2-[[(E)-2-[[(3R)-1-[(2S,3S,6S,9R,10R)-14-chloro-10-ethyl-2,13-dihydroxy-10-methyl-3-(methylamino)-4,7-dioxo-6-prop-1-en-2-yl-11-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-9-carbonyl]-2,3-dihydropyrrole-3-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Contaminant

Produktformat

Neat