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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33NO5
Molecular Weight 391.5011
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PURPURIDE

SMILES

[H][C@@]12CCC3=C(COC3=O)[C@@]1(C)[C@H](CCC2(C)C)OC(=O)[C@@H](NC(C)=O)C(C)C

InChI

InChIKey=NEMKJBVVPNFVCU-VDNWNZSNSA-N
InChI=1S/C22H33NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h12,16-18H,7-11H2,1-6H3,(H,23,24)/t16-,17-,18-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H33NO5
Molecular Weight 391.5011
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:02:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:47 GMT 2023
Record UNII
0E74XUA04U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PURPURIDE
Common Name English
VALINE, N-ACETYL-, (5AS,9S,9AS)-1,3,4,5,5A,6,7,8,9,9A-DECAHYDRO-6,6,9A-TRIMETHYL-3-OXONAPHTHO(1,2-C)FURAN-9-YL ESTER
Systematic Name English
Code System Code Type Description
CAS
41411-07-8
Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023
PRIMARY
FDA UNII
0E74XUA04U
Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023
PRIMARY
PUBCHEM
101316833
Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023
PRIMARY