| SpectraBase Spectrum ID |
5ITGyM2W5AL |
| Name |
(E)-(3S,6R,10R,16S)-10-(3-Chloro-4-methoxy-benzyl)-6-methyl-16-((E)-(R)-1-methyl-3-phenyl-allyl)-3-propyl-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone |
| Alternate Name(s) |
Cryptophycin-49
(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-16-[(E,2R)-4-phenylbut-3-en-2-yl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
(3S,6R,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-16-[(E,2R)-4-phenylbut-3-en-2-yl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H41ClN2O7 |
| InChI |
InChI=1S/C34H41ClN2O7/c1-5-10-30-34(41)43-28(22(2)15-16-24-11-7-6-8-12-24)13-9-14-31(38)37-27(32(39)36-21-23(3)33(40)44-30)20-25-17-18-29(42-4)26(35)19-25/h6-9,11-12,14-19,22-23,27-28,30H,5,10,13,20-21H2,1-4H3,(H,36,39)(H,37,38)/b14-9+,16-15+/t22-,23-,27-,28+,30+/m1/s1 |
| InChIKey |
YEERJYOOOZZKJG-WZRSQFIPSA-N |
| Molecular Weight |
625.162 g/mol |
| SMILES |
N1C(\C=C\C[C@](OC([C@@](OC([C@@](CNC([C@]1(Cc1cc(Cl)c(cc1)OC)[H])=O)(C)[H])=O)(CCC)[H])=O)([C@@](\C=C\c1ccccc1)(C)[H])[H])=O |
| SPLASH |
splash10-002e-9775000000-b06abd5255fc48c2bd1b |
| Source of Spectrum |
C-117-12044-23 |
| Wiley ID |
1698260 |
