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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27NO8S
Molecular Weight 489.538
Optical Activity ( - )
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RB-64

SMILES

[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CSC#N)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C4=COC=C4)C(=O)OC

InChI

InChIKey=AZPUAKGNQXURGA-ZWLNRFIDSA-N
InChI=1S/C24H27NO8S/c1-23-6-4-14-22(29)33-17(13-5-7-31-10-13)9-24(14,2)20(23)19(27)16(8-15(23)21(28)30-3)32-18(26)11-34-12-25/h5,7,10,14-17,20H,4,6,8-9,11H2,1-3H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27NO8S
Molecular Weight 489.538
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:19:59 UTC 2023
Edited
by admin
on Sat Dec 16 18:19:59 UTC 2023
Record UNII
GH7ZNH3JMF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RB-64
Code English
METHYL (2S,4AR,6AR,7R,9S,10AS,10BR)-2-(3-FURANYL)DODECAHYDRO-6A,10B-DIMETHYL-4,10-DIOXO-9-((2-THIOCYANATOACETYL)OXY)-2H-NAPHTHO(2,1-C)PYRAN-7-CARBOXYLATE
Systematic Name English
2H-NAPHTHO(2,1-C)PYRAN-7-CARBOXYLIC ACID, 2-(3-FURANYL)DODECAHYDRO-6A,10B-DIMETHYL-4,10-DIOXO-9-((2-THIOCYANATOACETYL)OXY)-, METHYL ESTER, (2S,4AR,6AR,7R,9S,10AS,10BR)-
Systematic Name English
Code System Code Type Description
CAS
1174223-49-4
Created by admin on Sat Dec 16 18:20:00 UTC 2023 , Edited by admin on Sat Dec 16 18:20:00 UTC 2023
PRIMARY
PUBCHEM
73347341
Created by admin on Sat Dec 16 18:20:00 UTC 2023 , Edited by admin on Sat Dec 16 18:20:00 UTC 2023
PRIMARY
FDA UNII
GH7ZNH3JMF
Created by admin on Sat Dec 16 18:20:00 UTC 2023 , Edited by admin on Sat Dec 16 18:20:00 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY