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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H50O12
Molecular Weight 638.7429
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VB-309

SMILES

[H][C@@]5(O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(CCCCC)=CC3=C2[C@]4([H])C=C(C)CC[C@@]4([H])C(C)(C)O3)[C@H](O)[C@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

InChI

InChIKey=XHNYCXIHZPYCRT-VSAHRBKJSA-N
InChI=1S/C33H50O12/c1-5-6-7-8-17-12-20(24-18-11-16(2)9-10-19(18)33(3,4)45-21(24)13-17)41-31-29(40)27(38)30(23(15-35)43-31)44-32-28(39)26(37)25(36)22(14-34)42-32/h11-13,18-19,22-23,25-32,34-40H,5-10,14-15H2,1-4H3/t18-,19-,22-,23-,25-,26+,27-,28-,29-,30-,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H50O12
Molecular Weight 638.7429
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:12:23 UTC 2023
Edited
by admin
on Sat Dec 16 19:12:23 UTC 2023
Record UNII
GMN7ZX2D3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VB-309
Code English
(2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Systematic Name English
VB309
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 627218
Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023
Code System Code Type Description
FDA UNII
GMN7ZX2D3A
Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023
PRIMARY
CAS
2699021-75-3
Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023
PRIMARY
PUBCHEM
163404000
Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG