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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H38N2O9
Molecular Weight 606.6628
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RAUNESCINE MONOACETATE

SMILES

COC(=O)[C@H]1[C@H]2C[C@H]3N(CCC4=C3NC5=C4C=CC=C5)C[C@H]2C[C@@H](OC(=O)C6=CC(OC)=C(OC)C(OC)=C6)[C@@H]1OC(C)=O

InChI

InChIKey=IUIVUEFITUOWNB-BKUYHZRHSA-N
InChI=1S/C33H38N2O9/c1-17(36)43-31-27(44-32(37)18-12-25(39-2)30(41-4)26(13-18)40-3)14-19-16-35-11-10-21-20-8-6-7-9-23(20)34-29(21)24(35)15-22(19)28(31)33(38)42-5/h6-9,12-13,19,22,24,27-28,31,34H,10-11,14-16H2,1-5H3/t19-,22+,24-,27-,28+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H38N2O9
Molecular Weight 606.6628
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:43:09 GMT 2025
Edited
by admin
on Mon Mar 31 18:43:09 GMT 2025
Record UNII
5Q925963VO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RAUNESCINE MONOACETATE
Common Name English
YOHIMBAN-16-CARBOXYLIC ACID, 17-(ACETYLOXY)-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-
Preferred Name English
Code System Code Type Description
CAS
707532-96-5
Created by admin on Mon Mar 31 18:43:09 GMT 2025 , Edited by admin on Mon Mar 31 18:43:09 GMT 2025
PRIMARY
FDA UNII
5Q925963VO
Created by admin on Mon Mar 31 18:43:09 GMT 2025 , Edited by admin on Mon Mar 31 18:43:09 GMT 2025
PRIMARY
PUBCHEM
91618058
Created by admin on Mon Mar 31 18:43:09 GMT 2025 , Edited by admin on Mon Mar 31 18:43:09 GMT 2025
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS