| SpectraBase Spectrum ID |
60wpMGnbcei |
| Name |
1-Phenanthreneacetic acid, tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-7-(nitrooxy)-3,10-dioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10a.alpha.)]- |
| Alternate Name(s) |
(7,8)-dimethyl ester of 1H-7.beta.-carboxy-8.alpha.-carboxymethyl-4a.alpha.,7.alpha.-dimethyl-2.alpha.-nitroxy-6,9-dioxoperhydrophenanthrene
Methyl (1S,2S,4aS,4bS,7R,8aS,10aR)-1-(2-methoxy-2-oxoethyl)-2,4b-dimethyl-7-(nitrooxy)-3,10-dioxotetradecahydro-2-phenanthrenecarboxylate
Methyl ester of[1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10a.alpha.)]-tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-7-(nitrooxy)-3,10-dioxo-1-phenanthreneacetic acid |
| CAS Registry Number |
63533-84-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NO9 |
| InChI |
InChI=1S/C21H29NO9/c1-20-6-5-12(31-22(27)28)7-11(20)8-15(23)18-13(20)9-16(24)21(2,19(26)30-4)14(18)10-17(25)29-3/h11-14,18H,5-10H2,1-4H3/t11-,12+,13-,14-,18+,20-,21-/m0/s1 |
| InChIKey |
JEQZIZGFAFWCHU-HZHTXRIYSA-N |
| Molecular Weight |
439.461 g/mol |
| SMILES |
[C@]1([C@]([C@@]2(C(C[C@]3([C@@]([C@]2(CC1=O)[H])(CC[C@@](ON(=O)=O)(C3)[H])C)[H])=O)[H])(CC(=O)OC)[H])(C(=O)OC)C |
| SPLASH |
splash10-053r-0049100000-1c528c322d36e5f888a0 |
| Source of Spectrum |
O-13-310-2 |
| Wiley ID |
1384392 |
![1-Phenanthreneacetic acid, tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-7-(nitrooxy)-3,10-dioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10a.alpha.)]-](/api/spectrum/60wpMGnbcei/structure.png?h=300&w=458 "1-Phenanthreneacetic acid, tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-7-(nitrooxy)-3,10-dioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10a.alpha.)]-")
