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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H70O22
Molecular Weight 963.0241
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VB-313

SMILES

[H][C@@]7(O[C@H]1[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](OC4=CC(CCCCC)=CC5=C4[C@]6([H])C=C(C)CC[C@@]6([H])C(C)(C)O5)[C@H](O)[C@H]2O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=MFUKFDWBLGEBFH-PBFRVRAZSA-N
InChI=1S/C45H70O22/c1-5-6-7-8-19-12-22(28-20-11-18(2)9-10-21(20)45(3,4)67-23(28)13-19)60-42-37(57)34(54)39(27(64-42)17-59-41-35(55)32(52)29(49)24(14-46)61-41)65-44-38(58)40(31(51)26(16-48)63-44)66-43-36(56)33(53)30(50)25(15-47)62-43/h11-13,20-21,24-27,29-44,46-58H,5-10,14-17H2,1-4H3/t20-,21-,24-,25-,26-,27-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44+/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H70O22
Molecular Weight 963.0241
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 22 / 22
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:12:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:12:10 GMT 2023
Record UNII
VFD5BFU5ZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VB-313
Code English
VB313
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 627218
Created by admin on Sat Dec 16 19:12:10 GMT 2023 , Edited by admin on Sat Dec 16 19:12:10 GMT 2023
Code System Code Type Description
PUBCHEM
156840801
Created by admin on Sat Dec 16 19:12:10 GMT 2023 , Edited by admin on Sat Dec 16 19:12:10 GMT 2023
PRIMARY
FDA UNII
VFD5BFU5ZG
Created by admin on Sat Dec 16 19:12:10 GMT 2023 , Edited by admin on Sat Dec 16 19:12:10 GMT 2023
PRIMARY
CAS
2699021-79-7
Created by admin on Sat Dec 16 19:12:10 GMT 2023 , Edited by admin on Sat Dec 16 19:12:10 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG