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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43NO9S
Molecular Weight 605.739
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UNBS-1450

SMILES

[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(CO)C[C@@]6([H])O[C@]7(O)[C@@]([H])(O[C@H](C)C[C@@]78NC(=O)CS8)O[C@]6([H])C2

InChI

InChIKey=GRINEMOQBRCRRY-DJHKYUSNSA-N
InChI=1S/C31H43NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,16,18-23,26,33,36-37H,3-8,10-15H2,1-2H3,(H,32,34)/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+,31-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
UNBS-1450
Common Name English
CARD-20(22)-ENOLIDE, 14,19-DIHYDROXY-2,3-(((5S,6R,7S,9R)-6-HYDROXY-9-METHYL-3-OXO-8-OXA-1-THIA-4-AZASPIRO(4.5)DECANE-6,7-DIYL)BIS(OXY))-, (2.ALPHA.,3.BETA.,5.ALPHA.)-
Systematic Name English
UBS1450
Code English
UBS-1450
Code English
(2.ALPHA.,3.BETA.,5.ALPHA.)-14,19-DIHYDROXY-2,3-(((5S,6R,7S,9R)-6-HYDROXY-9-METHYL-3-OXO-8-OXA-1-THIA-4-AZASPIRO(4.5)DECANE-6,7-DIYL)BIS(OXY))CARD-20(22)-ENOLIDE
Systematic Name English
UNBS1450
Code English
Code System Code Type Description
PUBCHEM
11261970
Created by admin on Sat Dec 16 01:03:23 UTC 2023 , Edited by admin on Sat Dec 16 01:03:23 UTC 2023
PRIMARY
FDA UNII
3SU2W2HMG8
Created by admin on Sat Dec 16 01:03:23 UTC 2023 , Edited by admin on Sat Dec 16 01:03:23 UTC 2023
PRIMARY
CAS
676541-58-5
Created by admin on Sat Dec 16 01:03:23 UTC 2023 , Edited by admin on Sat Dec 16 01:03:23 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
UNBS-1450
Created by admin on Sat Dec 16 01:03:23 UTC 2023 , Edited by admin on Sat Dec 16 01:03:23 UTC 2023
PRIMARY