U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C78H81ClN8O30
Molecular Weight 1645.966
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 22
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTAPLANIN G

SMILES

COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(CC5=CC=C(OC6=C(OC7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(OC8=C(Cl)C=C(C=C8)C2OC9C[C@@H](N)[C@H](O)[C@@H](C)O9)=CC3=C6)C=C5)NC(=O)C(N)C%10=CC(OC%11=CC4=CC(O)=C%11C)=C(O)C=C%10)C%12=CC(=C(O)C=C%12)C%13=C(OC%14O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%14O)C=C(O)C=C1%13

InChI

InChIKey=BDNDRNLSLGGULA-DYXFHWNWSA-N
InChI=1S/C78H81ClN8O30/c1-27-44(93)17-33-19-46(27)112-47-18-30(6-12-43(47)92)55(81)71(102)82-41-14-29-4-9-36(10-5-29)110-49-20-34-21-50(69(49)117-78-67(100)65(98)63(96)52(26-89)115-78)111-45-13-8-32(16-39(45)79)68(116-53-24-40(80)61(94)28(2)109-53)60-75(106)86-59(76(107)108-3)38-22-35(90)23-48(113-77-66(99)64(97)62(95)51(25-88)114-77)54(38)37-15-31(7-11-42(37)91)56(72(103)87-60)84-74(105)58(34)85-73(104)57(33)83-70(41)101/h4-13,15-23,28,40-41,51-53,55-68,77-78,88-100H,14,24-26,80-81H2,1-3H3,(H,82,102)(H,83,101)(H,84,105)(H,85,104)(H,86,106)(H,87,103)/t28-,40-,41?,51-,52-,53?,55?,56?,57?,58?,59?,60?,61-,62-,63-,64+,65+,66+,67-,68?,77?,78?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACTAPLANIN G
Common Name English
RISTOMYCIN A, 31-CHLORO-2C-O-DE(O-.BETA.-D-ARABINOPYRANOSYL-(1->2)-.ALPHA.-D-MANNOPYRANOSYL)-6C-O-DE(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-19-DEOXY-
Common Name English
ANTIBIOTIC-A 4696G
Code English
Code System Code Type Description
FDA UNII
9Z4L12A2AM
Created by admin on Sat Dec 16 08:18:04 GMT 2023 , Edited by admin on Sat Dec 16 08:18:04 GMT 2023
PRIMARY
PUBCHEM
76971751
Created by admin on Sat Dec 16 08:18:04 GMT 2023 , Edited by admin on Sat Dec 16 08:18:04 GMT 2023
PRIMARY
CAS
83381-73-1
Created by admin on Sat Dec 16 08:18:04 GMT 2023 , Edited by admin on Sat Dec 16 08:18:04 GMT 2023
PRIMARY