| SpectraBase Spectrum ID |
jujkBruPRz |
| Name |
(1'R,3S,3'S,7a'S)-1'-((3aS,6R,7aS)-8,8-dimethyl-2,2-dioxidohexahydro-3H-3a,6-methanobenzo[c]isothiazole-1-carbonyl)-1,1''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indoline-3,2'-pyrrolizine-3',3''-indoline]-2,2''-dione |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H38N4O5S |
| InChI |
InChI=1S/C34H38N4O5S/c1-31(2)20-15-16-32(31)19-44(42,43)38(26(32)18-20)28(39)27-25-14-9-17-37(25)34(22-11-6-8-13-24(22)36(4)30(34)41)33(27)21-10-5-7-12-23(21)35(3)29(33)40/h5-8,10-13,20,25-27H,9,14-19H2,1-4H3/t20-,25+,26+,27-,32-,33+,34-/m1/s1 |
| InChIKey |
SGAULPMPEBQIBQ-CFKPOFEVSA-N |
| Instrument Name |
Agilent 5975C VL |
| Ionization Type |
EI possitive ion |
| Literature Reference DOI |
10.1002/ajoc.202000056 |
| Molecular Weight |
614.761 g/mol |
| Optical Rotation |
[a]Na20 = +23 (c = 0.01, CH2Cl2) |
| SMILES |
[C@]12([C@]3([C@]([C@]4(N1CCC4)[H])(C(N1[C@@]4([C@@]5(CC[C@](C4)(C5(C)C)[H])CS1(=O)=O)[H])=O)[H])c1c(cccc1)N(C3=O)C)c1c(cccc1)N(C)C2=O |
| SPLASH |
splash10-0udi-9871000000-f8d8053d99ec5650fb3e |
| Source of Spectrum |
AJO-9-SM58-4a' |
| Wiley ID |
1839489 |
![(1'R,3S,3'S,7a'S)-1'-((3aS,6R,7aS)-8,8-dimethyl-2,2-dioxidohexahydro-3H-3a,6-methanobenzo[c]isothiazole-1-carbonyl)-1,1''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indoline-3,2'-pyrrolizine-3',3''-indoline]-2,2''-dione](/api/spectrum/jujkBruPRz/structure.png?h=300&w=458 "(1'R,3S,3'S,7a'S)-1'-((3aS,6R,7aS)-8,8-dimethyl-2,2-dioxidohexahydro-3H-3a,6-methanobenzo[c]isothiazole-1-carbonyl)-1,1''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indoline-3,2'-pyrrolizine-3',3''-indoline]-2,2''-dione")
