U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H40N2O6
Molecular Weight 620.734
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INSULARINE

SMILES

[H][C@]12CC3=CC=C(OC4=C(OC)C(OC)=CC5=C4[C@@]([H])(CC6=CC7=C(OC8=C(OC7)C(OC)=CC(CCN1C)=C28)C=C6)N(C)CC5)C=C3

InChI

InChIKey=DPLLCJFNXPKFPB-FQLXRVMXSA-N
InChI=1S/C38H40N2O6/c1-39-14-13-25-20-32(42-4)36-38-34(25)28(39)17-22-6-9-27(10-7-22)45-37-33-24(19-31(41-3)35(37)43-5)12-15-40(2)29(33)18-23-8-11-30(46-38)26(16-23)21-44-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H40N2O6
Molecular Weight 620.734
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:02:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:02:31 GMT 2023
Record UNII
60I96OKL0W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INSULARINE
MI  
Common Name English
O-METHYLINSULANOLINE
Common Name English
INSULARINE [MI]
Common Name English
6,9-(EPOXYMETHANO)-8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-I'J')DIISOQUINOLINE, 2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17,18-TRIMETHOXY-1,13-DIMETHYL-, (12AR,24AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
60I96OKL0W
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
CAS
549-07-5
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
PUBCHEM
10348927
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
MERCK INDEX
m246
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY Merck Index