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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H46N2O17S
Molecular Weight 786.797
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PAULOMYCIN A

SMILES

CC[C@H](C)C(=O)O[C@@H](C)[C@@]1(O)[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]2[C@@H](O)[C@@H](O[C@H](COC(C)=O)[C@H]2OC(=O)C(=C\C)\N=C=S)[C@@]3(O)CC(=O)C(N)=C(C(O)=O)C3=O

InChI

InChIKey=APOXLHGBQWCHJE-YKMJNRAQSA-N
InChI=1S/C34H46N2O17S/c1-8-14(3)31(43)50-16(5)34(46)15(4)49-22(10-21(34)47-7)52-27-25(39)29(33(45)11-19(38)24(35)23(28(33)40)30(41)42)51-20(12-48-17(6)37)26(27)53-32(44)18(9-2)36-13-54/h9,14-16,20-22,25-27,29,39,45-46H,8,10-12,35H2,1-7H3,(H,41,42)/b18-9-/t14-,15-,16-,20+,21-,22-,25+,26+,27-,29+,33+,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H46N2O17S
Molecular Weight 786.797
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:03:38 GMT 2023
Edited
by admin
on Fri Dec 15 16:03:38 GMT 2023
Record UNII
BX07F07V62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAULOMYCIN A
Common Name English
VOLONOMYCIN A
Common Name English
Code System Code Type Description
CAS
81988-77-4
Created by admin on Fri Dec 15 16:03:38 GMT 2023 , Edited by admin on Fri Dec 15 16:03:38 GMT 2023
PRIMARY
MESH
C034569
Created by admin on Fri Dec 15 16:03:38 GMT 2023 , Edited by admin on Fri Dec 15 16:03:38 GMT 2023
PRIMARY
FDA UNII
BX07F07V62
Created by admin on Fri Dec 15 16:03:38 GMT 2023 , Edited by admin on Fri Dec 15 16:03:38 GMT 2023
PRIMARY
PUBCHEM
101285668
Created by admin on Fri Dec 15 16:03:38 GMT 2023 , Edited by admin on Fri Dec 15 16:03:38 GMT 2023
PRIMARY