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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H51NO15
Molecular Weight 809.852
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACLACINOMYCIN B

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)N(C)C)C6=C(O)C7=C(C=C6[C@H]1C(=O)OC)C(=O)C8=CC=CC(O)=C8C7=O

InChI

InChIKey=RQHZAASWYUEYCJ-NFJBMJLVSA-N
InChI=1S/C42H51NO15/c1-8-42(50)16-28(32-21(34(42)40(49)51-7)12-22-33(37(32)48)36(47)31-20(35(22)46)10-9-11-24(31)44)56-29-13-23(43(5)6)38(18(3)52-29)57-30-15-26-39(19(4)53-30)58-41-27(55-26)14-25(45)17(2)54-41/h9-12,17-19,23,26-30,34,38-39,41,44,48,50H,8,13-16H2,1-7H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41-,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H51NO15
Molecular Weight 809.852
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:42:45 GMT 2025
Edited
by admin
on Mon Mar 31 18:42:45 GMT 2025
Record UNII
P8EJD9HI5K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIBIOTIC 77-3082B
Preferred Name English
ACLACINOMYCIN B
MI  
Common Name English
ACLACINOMYCIN B [MI]
Common Name English
NSC-208735
Code English
ANTIBIOTIC MA-144B1
Code English
ACLARUBICIN B
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C987
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
Code System Code Type Description
NSC
208735
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
PRIMARY
FDA UNII
P8EJD9HI5K
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
PRIMARY
NCI_THESAURUS
C1861
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
PRIMARY NCIT
MERCK INDEX
m1374
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
PRIMARY Merck Index
PUBCHEM
10328040
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
PRIMARY
CAS
57596-79-9
Created by admin on Mon Mar 31 18:42:45 GMT 2025 , Edited by admin on Mon Mar 31 18:42:45 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY