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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N2O4
Molecular Weight 382.4528
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PUBESCINE

SMILES

[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCC4=C2NC5=CC(OC)=CC=C45)C(=O)OC

InChI

InChIKey=KXEMQEGRZWUKJS-RURTYGRKSA-N
InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26N2O4
Molecular Weight 382.4528
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.
1991 Jan-Feb
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:41:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:41:43 GMT 2023
Record UNII
TP250R6K5B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PUBESCINE
Common Name English
11-METHOXYTETRAHYDROALSTONINE
Common Name English
RAUBASININE
Common Name English
OXAYOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-11-METHOXY-19-METHYL-, METHYL ESTER, (19.ALPHA.,20.ALPHA.)-
Systematic Name English
NSC-15624
Code English
Code System Code Type Description
FDA UNII
TP250R6K5B
Created by admin on Fri Dec 15 19:41:43 GMT 2023 , Edited by admin on Fri Dec 15 19:41:43 GMT 2023
PRIMARY
CAS
482-96-2
Created by admin on Fri Dec 15 19:41:43 GMT 2023 , Edited by admin on Fri Dec 15 19:41:43 GMT 2023
PRIMARY
NSC
15624
Created by admin on Fri Dec 15 19:41:43 GMT 2023 , Edited by admin on Fri Dec 15 19:41:43 GMT 2023
PRIMARY
PUBCHEM
72313
Created by admin on Fri Dec 15 19:41:43 GMT 2023 , Edited by admin on Fri Dec 15 19:41:43 GMT 2023
PRIMARY