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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-310

SMILES

[H][C@@]12CCC(C)=C[C@@]1([H])C3=C(OC2(C)C)C=C(CCCCC)C=C3O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=RZFRCPSGNXCKHX-BHFDYALXSA-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)42-32-30(40)28(38)26(36)23(44-32)15-41-31-29(39)27(37)25(35)22(14-34)43-31/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 19:18:59 GMT 2023
Edited
by admin
on Sat Dec 16 19:18:59 GMT 2023
Record UNII
SH72P2DRU7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VB-310
Code English
VB310
Code English
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triol
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 627218
Created by admin on Sat Dec 16 19:18:59 GMT 2023 , Edited by admin on Sat Dec 16 19:18:59 GMT 2023
Code System Code Type Description
CAS
2699021-76-4
Created by admin on Sat Dec 16 19:18:59 GMT 2023 , Edited by admin on Sat Dec 16 19:18:59 GMT 2023
PRIMARY
PUBCHEM
156840800
Created by admin on Sat Dec 16 19:18:59 GMT 2023 , Edited by admin on Sat Dec 16 19:18:59 GMT 2023
PRIMARY
FDA UNII
SH72P2DRU7
Created by admin on Sat Dec 16 19:18:59 GMT 2023 , Edited by admin on Sat Dec 16 19:18:59 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG