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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N2O10
Molecular Weight 560.5928
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-O-DEMETHYLMITRAGYNINE GLUCORONIDE

SMILES

[H][C@@]12C[C@@H]([C@H](CC)CN1CCC3=C2NC4=C3C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=PRYHOGCYPICMAJ-IRERNMKVSA-N
InChI=1S/C28H36N2O10/c1-4-13-11-30-9-8-14-20-17(29-21(14)18(30)10-15(13)16(12-37-2)27(36)38-3)6-5-7-19(20)39-28-24(33)22(31)23(32)25(40-28)26(34)35/h5-7,12-13,15,18,22-25,28-29,31-33H,4,8-11H2,1-3H3,(H,34,35)/b16-12+/t13-,15+,18+,22+,23+,24-,25+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H36N2O10
Molecular Weight 560.5928
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:58:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:58:28 GMT 2023
Record UNII
P82S5MND4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-O-DEMETHYLMITRAGYNINE GLUCORONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2S,3S,12BS)-3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-2-((1E)-2-METHOXY-1-(METHOXYCARBONYL)ETHENYL)INDOLO(2,3-A)QUINOLIZIN-8-YL
Systematic Name English
9-HYDROXYCORYNANTHEIDINE GLUCORONIDE
Common Name English
Code System Code Type Description
FDA UNII
P82S5MND4M
Created by admin on Sat Dec 16 18:58:28 GMT 2023 , Edited by admin on Sat Dec 16 18:58:28 GMT 2023
PRIMARY
CAS
1622324-57-5
Created by admin on Sat Dec 16 18:58:28 GMT 2023 , Edited by admin on Sat Dec 16 18:58:28 GMT 2023
PRIMARY
PUBCHEM
162623509
Created by admin on Sat Dec 16 18:58:28 GMT 2023 , Edited by admin on Sat Dec 16 18:58:28 GMT 2023
PRIMARY
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