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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H38N2O6
Molecular Weight 594.6967
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCHONDRODENDRINE

SMILES

[H][C@]12CC3=CC=C(OC4=C(O)C(OC)=CC5=C4[C@@]([H])(CC6=CC=C(OC7=C(O)C(OC)=CC(CCN1C)=C27)C=C6)N(C)CC5)C=C3

InChI

InChIKey=XIOGHHPVBVXQIV-VSGBNLITSA-N
InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H38N2O6
Molecular Weight 594.6967
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 09:37:51 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:51 GMT 2023
Record UNII
RZ4K59A9CN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCHONDRODENDRINE
MI  
Common Name English
8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-I'J')DIISOQUINOLINE-6,18-DIOL, 2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17-DIMETHOXY-1,13-DIMETHYL-, (12AR,24AR)-
Systematic Name English
(+)-ISOCHONDRODENDRINE
Common Name English
D-ISOCHONDRODENDRINE
Common Name English
ISOCHONDRODENDRINE [MI]
Common Name English
(12AR,24AR)-2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17-DIMETHOXY-1,13-DIMETHYL-8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-IJ)DIISOQUINOLINE-6,18-DIOL
Systematic Name English
NSC-77035
Code English
(R,R)-ISOCHONDRODENDRINE
Common Name English
ISOCHONDRODENDRINE, (+)-
Common Name English
Code System Code Type Description
CAS
477-62-3
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY
FDA UNII
RZ4K59A9CN
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY
PUBCHEM
197726
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID20197249
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-517-2
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY
MERCK INDEX
m6473
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY Merck Index
NSC
77035
Created by admin on Sat Dec 16 09:37:51 GMT 2023 , Edited by admin on Sat Dec 16 09:37:51 GMT 2023
PRIMARY