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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O3
Molecular Weight 368.4702
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HIRSUTINE

SMILES

CC[C@@]1([H])CN2CCc3c4ccccc4[nH]c3[C@@]2([H])C[C@]1([H])/C(=C(/[H])\OC)/C(=O)OC

InChI

InChIKey=NMLUOJBSAYAYEM-AZQGJTAVSA-N
InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O3
Molecular Weight 368.4702
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:18:17 UTC 2021
Edited
by admin
on Sat Jun 26 07:18:17 UTC 2021
Record UNII
W596OF93C7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HIRSUTINE
Common Name English
17,18-SECO-3.BETA.-YOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (E)-
Common Name English
CORYNAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (3.BETA.,16E)-
Common Name English
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BR)-
Systematic Name English
Code System Code Type Description
FDA UNII
W596OF93C7
Created by admin on Sat Jun 26 07:18:17 UTC 2021 , Edited by admin on Sat Jun 26 07:18:17 UTC 2021
PRIMARY
CAS
7729-23-9
Created by admin on Sat Jun 26 07:18:17 UTC 2021 , Edited by admin on Sat Jun 26 07:18:17 UTC 2021
PRIMARY
PUBCHEM
3037884
Created by admin on Sat Jun 26 07:18:17 UTC 2021 , Edited by admin on Sat Jun 26 07:18:17 UTC 2021
PRIMARY
CAS
76376-57-3
Created by admin on Sat Jun 26 07:18:17 UTC 2021 , Edited by admin on Sat Jun 26 07:18:17 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT