Ristocetin A

CAS Registry Number®

11021-66-2

CAS Name

Ristocetin A

Molecular Formula

C95H110N8O44

Molecular Mass

2067.92

Cite this Page

Ristocetin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11021-66-2 (retrieved 2024-11-22) (CAS RN: 11021-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/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)

InChIKey

InChIKey=VUOPFFVAZTUEGW-UHFFFAOYSA-N

SMILES

O(C1=C2C(C(C(OC)=O)NC(=O)C3C(OC4CC(N)C(O)C(C)O4)C=5C=CC(=CC5)OC=6C=C7C(C(=O)NC(C=8C=C2C(O)=CC8)C(=O)N3)NC(=O)C9C=%10C=C(OC=%11C=C(C(N)C(=O)NC(C(=O)N9)C(O)C=%12C=CC(OC(=C7)C6OC%13C(OC%14C(OC%15C(O)C(O)C(O)CO%15)C(O)C(O)C(CO)O%14)C(O)C(O)C(COC%16C(O)C(O)C(O)C(C)O%16)O%13)=CC%12)C=CC%11O)C(C)=C(O)C%10)=CC(O)=C1)C%17OC(CO)C(O)C(O)C%17O

Canonical SMILES

O=C(OC)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)C5=CC=C(O)C(OC6=CC4=CC(O)=C6C)=C5)C(O)C7=CC=C(OC=8C=C3C=C(OC9=CC=C(C=C9)C2OC%10OC(C)C(O)C(N)C%10)C8OC%11OC(COC%12OC(C)C(O)C(O)C%12O)C(O)C(O)C%11OC%13OC(CO)C(O)C(O)C%13OC%14OCC(O)C(O)C%14O)C=C7)C=%15C=CC(O)=C(C%15)C%16=C(OC%17OC(CO)C(O)C(O)C%17O)C=C(O)C=C%161

Other Names for this Substance

  • Ristomycin A
  • 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, ristomycin A deriv.
  • Ristocetin A

Deleted or Replaced CAS Registry Numbers

1405-58-9, 37361-31-2

CAS INSIGHTSTM
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