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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H72O12
Molecular Weight 805.046
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OLIGOMYCIN B

SMILES

CC[C@@H]1CC[C@@H]2O[C@@]3(O[C@@H](C[C@@H](C)O)[C@@H](C)CC3=O)[C@@H](C)[C@H](OC(=O)\C=C\[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@](C)(O)[C@@H](O)[C@H](C)C\C=C\C=C\1)[C@@H]2C

InChI

InChIKey=QPRQJOHKNJIMGN-WVUAJZTGSA-N
InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula C45H72O12
Molecular Weight 805.046
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:13:48 GMT 2023
Edited
by admin
on Fri Dec 15 19:13:48 GMT 2023
Record UNII
387OE420H7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLIGOMYCIN B
MI  
Common Name English
NSC-717695
Code English
28-OXOOLIGOMYCIN A
Common Name English
OLIGOMYCIN A, 28-OXO
Common Name English
OLIGOMYCIN B [MI]
Common Name English
Code System Code Type Description
MESH
C048335
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
FDA UNII
387OE420H7
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
PUBCHEM
76958645
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
234-275-5
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID301017534
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
CAS
11050-94-5
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
NSC
717695
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY
MERCK INDEX
m8197
Created by admin on Fri Dec 15 19:13:48 GMT 2023 , Edited by admin on Fri Dec 15 19:13:48 GMT 2023
PRIMARY Merck Index