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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H42N2O9
Molecular Weight 562.6518
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GELDANAMYCIN, 18,21-DIDEHYDRO-18,21-DIDEOXO-18,21-DIHYDROXY-

SMILES

CO[C@H]1C[C@H](C)CC2=C(OC)C(O)=CC(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)=C2O

InChI

InChIKey=PTPZSJCARURTEJ-KSRBKZBZSA-N
InChI=1S/C29H42N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,32-34H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H42N2O9
Molecular Weight 562.6518
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:09:18 GMT 2023
Edited
by admin
on Sat Dec 16 16:09:18 GMT 2023
Record UNII
B0X89M7X7M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GELDANAMYCIN, 18,21-DIDEHYDRO-18,21-DIDEOXO-18,21-DIHYDROXY-
Systematic Name English
18,21-DIDEHYDRO-18,21-DIDEOXO-18,21-DIHYDROXYGELDANAMYCIN
Systematic Name English
GQH2
Common Name English
Code System Code Type Description
PUBCHEM
449246
Created by admin on Sat Dec 16 16:09:18 GMT 2023 , Edited by admin on Sat Dec 16 16:09:18 GMT 2023
PRIMARY
FDA UNII
B0X89M7X7M
Created by admin on Sat Dec 16 16:09:18 GMT 2023 , Edited by admin on Sat Dec 16 16:09:18 GMT 2023
PRIMARY
CAS
169521-90-8
Created by admin on Sat Dec 16 16:09:18 GMT 2023 , Edited by admin on Sat Dec 16 16:09:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE