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Details

Stereochemistry MIXED
Molecular Formula C61H90Cl2O32
Molecular Weight 1406.254
Optical Activity UNSPECIFIED
Defined Stereocenters 30 / 32
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVILAMYCIN C

SMILES

[H][C@]12OC3(C[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](OC(=O)C5=C(C)C(Cl)=C(O)C(Cl)=C5OC)[C@@H](C)O4)[C@@H](C)O3)O[C@]1(C)C[C@H](O[C@@H]6[C@@H](O)[C@H](O[C@@H]7[C@@H](COC)O[C@@H](O[C@@H]8OC[C@@H]9O[C@]%10(O[C@H]9[C@H]8OC(=O)C(C)C)O[C@H](C)[C@@](O)([C@H](C)O)[C@@H]%11OCO[C@@H]%10%11)[C@@H](OC)[C@H]7O)O[C@H](C)[C@@H]6OC)O[C@@H]2C

InChI

InChIKey=AEIFATUAVHHRBC-GYPCSUJESA-N
InChI=1S/C61H90Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-34,39-45,47-52,55-57,64-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,27?,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59?,60+,61-/m1/s1

HIDE SMILES / InChI

Molecular Formula C61H90Cl2O32
Molecular Weight 1406.254
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 31 / 32
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:00:08 GMT 2023
Edited
by admin
on Sat Dec 16 01:00:08 GMT 2023
Record UNII
GE1D3N476F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVILAMYCIN C
MI  
Common Name English
AVILAMYCIN C [MI]
Common Name English
Code System Code Type Description
FDA UNII
GE1D3N476F
Created by admin on Sat Dec 16 01:00:08 GMT 2023 , Edited by admin on Sat Dec 16 01:00:08 GMT 2023
PRIMARY
MERCK INDEX
m2150
Created by admin on Sat Dec 16 01:00:08 GMT 2023 , Edited by admin on Sat Dec 16 01:00:08 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID60220080
Created by admin on Sat Dec 16 01:00:08 GMT 2023 , Edited by admin on Sat Dec 16 01:00:08 GMT 2023
PRIMARY
CAS
69787-80-0
Created by admin on Sat Dec 16 01:00:08 GMT 2023 , Edited by admin on Sat Dec 16 01:00:08 GMT 2023
PRIMARY
PUBCHEM
20055307
Created by admin on Sat Dec 16 01:00:08 GMT 2023 , Edited by admin on Sat Dec 16 01:00:08 GMT 2023
PRIMARY