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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29NO9
Molecular Weight 499.5098
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDARUBICINOL

SMILES

[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(=O)C5=CC=CC=C5C4=O)C(O)=C23)[C@H](C)O

InChI

InChIKey=KMIBSUUWQWSRQV-BAYOIBAISA-N
InChI=1S/C26H29NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10-11,15-17,21,28-29,32-34H,7-9,27H2,1-2H3/t10-,11-,15-,16-,17-,21+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H29NO9
Molecular Weight 499.5098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:14:41 UTC 2023
Edited
by admin
on Sat Dec 16 08:14:41 UTC 2023
Record UNII
Z3GYR877XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IDARUBICINOL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID701006632
Created by admin on Sat Dec 16 08:14:41 UTC 2023 , Edited by admin on Sat Dec 16 08:14:41 UTC 2023
PRIMARY
PUBCHEM
107865
Created by admin on Sat Dec 16 08:14:41 UTC 2023 , Edited by admin on Sat Dec 16 08:14:41 UTC 2023
PRIMARY
FDA UNII
Z3GYR877XQ
Created by admin on Sat Dec 16 08:14:41 UTC 2023 , Edited by admin on Sat Dec 16 08:14:41 UTC 2023
PRIMARY
CAS
86189-66-4
Created by admin on Sat Dec 16 08:14:41 UTC 2023 , Edited by admin on Sat Dec 16 08:14:41 UTC 2023
PRIMARY
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