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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H84O26
Molecular Weight 1197.272
Optical Activity UNSPECIFIED
Defined Stereocenters 25 / 25
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-649

SMILES

CO[C@@H]([C@@H]1CC2=CC3=C(C(O)=CC(O[C@H]4C[C@@H](OC(C)=O)[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@@H](C)O4)=C3)C(O)=C2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O8)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O

InChI

InChIKey=WURKLEUBADSHTC-AJVJTBPOSA-N
InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(78-29(9)60)53(27(7)76-40)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1

HIDE SMILES / InChI

Molecular Formula C58H84O26
Molecular Weight 1197.272
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 25 / 25
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:31:55 GMT 2025
Edited
by admin
on Mon Mar 31 21:31:55 GMT 2025
Record UNII
I00H3G1Y5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-38270
Preferred Name English
A-649
Common Name English
ANTIBIOTIC A-649
Common Name English
Code System Code Type Description
NSC
38270
Created by admin on Mon Mar 31 21:31:55 GMT 2025 , Edited by admin on Mon Mar 31 21:31:55 GMT 2025
PRIMARY
CAS
102647-16-5
Created by admin on Mon Mar 31 21:31:55 GMT 2025 , Edited by admin on Mon Mar 31 21:31:55 GMT 2025
PRIMARY
PUBCHEM
462379
Created by admin on Mon Mar 31 21:31:55 GMT 2025 , Edited by admin on Mon Mar 31 21:31:55 GMT 2025
PRIMARY
FDA UNII
I00H3G1Y5M
Created by admin on Mon Mar 31 21:31:55 GMT 2025 , Edited by admin on Mon Mar 31 21:31:55 GMT 2025
PRIMARY