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

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H53NO16
Molecular Weight 827.8673
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STREPTOVARICIN K

SMILES

COC(=O)[C@H]1[C@H](O)[C@H](C)[C@@H](O)[C@](C)(O)\C=C(C)\C2=C3C(OCO2)=C(C)C(=O)C4=C3C(OC(C)=O)=C(C)C(NC(=O)\C(C)=C\C=C[C@](C)(O)[C@@H](OC(C)=O)[C@@H](C)[C@H]1O)=C4O

InChI

InChIKey=XRODLRUQSITVTH-JDQMUTRMSA-N
InChI=1S/C42H53NO16/c1-17-13-12-14-41(9,53)38(59-24(8)45)22(6)32(48)28(40(52)55-11)31(47)21(5)37(50)42(10,54)15-18(2)34-27-25-26(30(46)20(4)35(27)57-16-56-34)33(49)29(43-39(17)51)19(3)36(25)58-23(7)44/h12-15,21-22,28,31-32,37-38,47-50,53-54H,16H2,1-11H3,(H,43,51)/b14-12-,17-13+,18-15+/t21-,22-,28-,31+,32+,37+,38-,41-,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H53NO16
Molecular Weight 827.8673
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:52:40 GMT 2023
Edited
by admin
on Sat Dec 16 01:52:40 GMT 2023
Record UNII
21712E469A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STREPTOVARICIN K
Common Name English
STREPTOVARICINOIC ACID, 16-HYDROXY-, METHYL ESTER, 17-ACETATE
Common Name English
Code System Code Type Description
FDA UNII
21712E469A
Created by admin on Sat Dec 16 01:52:40 GMT 2023 , Edited by admin on Sat Dec 16 01:52:40 GMT 2023
PRIMARY
PUBCHEM
135564572
Created by admin on Sat Dec 16 01:52:40 GMT 2023 , Edited by admin on Sat Dec 16 01:52:40 GMT 2023
PRIMARY