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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H35N3O6S
Molecular Weight 541.659
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NMI-187

SMILES

[H][C@@]12CC[C@H](OC(=O)CC(C)(C)SN=O)[C@H](C(=O)OC)[C@@]1([H])C[C@]3([H])N(CCC4=C3N(C(C)=O)C5=C4C=CC=C5)C2

InChI

InChIKey=OGAZTKCATDLYHE-KZDFQTSRSA-N
InChI=1S/C28H35N3O6S/c1-16(32)31-21-8-6-5-7-18(21)19-11-12-30-15-17-9-10-23(37-24(33)14-28(2,3)38-29-35)25(27(34)36-4)20(17)13-22(30)26(19)31/h5-8,17,20,22-23,25H,9-15H2,1-4H3/t17-,20-,22-,23-,25+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NMI-187
Code English
NMI187
Code English
YOHIMBAN-16-CARBOXYLIC ACID, 1-ACETYL-17-(3-METHYL-3-(NITROSOTHIO)-1-OXOBUTOXY)-, METHYL ESTER, (16.ALPHA.,17.ALPHA.)-
Systematic Name English
METHYL (1S,15R,18S,19R,20S)-3-ACETYL-18-(3-METHYL-3-NITROSOSULFANYLBUTANOYL)OXY-11,12,14,15,16,17,18,19,20,21-DECAHYDRO-1H-YOHIMBAN-19-CARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
PL2YY3RRE7
Created by admin on Sat Dec 16 18:11:16 GMT 2023 , Edited by admin on Sat Dec 16 18:11:16 GMT 2023
PRIMARY
PUBCHEM
9807351
Created by admin on Sat Dec 16 18:11:16 GMT 2023 , Edited by admin on Sat Dec 16 18:11:16 GMT 2023
PRIMARY
CAS
242140-32-5
Created by admin on Sat Dec 16 18:11:16 GMT 2023 , Edited by admin on Sat Dec 16 18:11:16 GMT 2023
PRIMARY