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Ristocetin structure, CAS 11021-66-2

Ristocetin

CAS Number11021-66-2

SynonymsRistocetin A; Ristomycin A

Molecular FormulaC95H110N8O44

Molecular Weight2166.00

Purity≥90 ristocetin A basis (balance primarily Ristocet%

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Cat. No.: 2A-9092132 Purity: ≥90 ristocetin A basis (balance primarily Ristocet%
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Quality Control of [ 11021-66-2 ] Purity: ≥90 ristocetin A basis (balance primarily Ristocet% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number11021-66-2
Catalog No.2A-9092132
Chinese NameRistocetin
SynonymsRistocetin A; Ristomycin A
Molecular FormulaC95H110N8O44
Molecular Weight2166.00
Purity≥90 ristocetin A basis (balance primarily Ristocet
PubChem ID24899399
MDL NumberMFCD00076121
SMILESCOC(=O)[C@@H]1NC(=O)[C@H]2NC(=O)C(NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(Oc6cc4cc(O)c6C)c5)[C@H](O)c7ccc(Oc8cc3cc(Oc9ccc(cc9)[C@H]2O[C@H]%10C[C@@H](N)[C@@H](O)[C@H](C)O%10)c8O[C@@H]%11O[C@H](CO[C@@H]%12O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%12O)[C@@H](O)[C@H](O)[C@H]%11O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O[C@@H]%14OC[C@@H](O)[C@@H](O)[C@@H]%14O)cc7)c%15ccc(O)c(c%15)-c%16c(O[C@@H]%17O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%17O)cc(O)cc1%16
InChI1S/C95H110N8O44/c1-30-47(109)18-37-20-49(30)139-50-19-35(9-16-46(50)108)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)137-52-21-38-22-53(81(52)145-95-83(76(121)72(117)56(143-95)29-134-91-78(123)73(118)67(112)32(3)136-91)147-94-82(75(120)71(116)55(27-105)142-94)146-92-77(122)69(114)48(110)28-133-92)138-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)135-57)65-89(130)101-63(90(131)132-4)43-23-39(106)24-51(140-93-79(124)74(119)70(115)54(26-104)141-93)58(43)42-17-36(10-15-45(42)107)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,48,54-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)/t31-,32-,44+,48+,54+,55+,56+,57-,59+,60?,61-,62+,63?,64+,65-,66-,67-,68+,69+,70+,71+,72+,73+,74-,75-,76-,77-,78+,79-,80+,82-,83+,91+,92-,93+,94+,95-/m0/s1
InChI KeyVUOPFFVAZTUEGW-ZNAZZOOYSA-N
NACRES CodeNA.77
UNSPSC12352202
MSDSmsds/92132_1_11021_66_2.pdf
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