| SpectraBase Spectrum ID |
E0ggXAv6Ri6 |
| Name |
1,2,3,4,4a,5,6,8,8a,9,10-dodecahydro-3.alpha.,4.alpha.-dehydroxy1.alpha.[2-(methoxymethoxy)ethyl]-2.alpha.-((methoxymethoxy)methyl)-4b.beta.,8.alpha.-dimethyl-10.alpha.-[((2,2,2-trichlorothoxy)-carbonyl)oxy]-7H-2.beta.,10a.beta.-(epoxymethano)phenanthren-7-one 7-(ethylene acetal) |
| Alternate Name(s) |
(1'S,2'S,5'R,9'R,11'R,12'R,13'R,16'S)-11',12'-dihydroxy-16'-[2-(methoxymethoxy)ethyl]-13'-[(methoxymethoxy)methyl]-5',9'-dimethyl-14'-oxaspiro[1,3-dioxolane-2,6'-tetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane]-2'-yl (2,2,2-trichloroethyl) carbonate |
| CAS Registry Number |
122554-71-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H45Cl3O12 |
| InChI |
InChI=1S/C29H45Cl3O12/c1-17-18-11-20(44-24(35)40-14-29(30,31)32)26-12-43-27(13-39-16-37-4,19(26)5-8-38-15-36-3)23(34)21(33)22(26)25(18,2)6-7-28(17)41-9-10-42-28/h17-23,33-34H,5-16H2,1-4H3/t17-,18?,19+,20+,21-,22?,23-,25-,26+,27-/m1/s1 |
| InChIKey |
XPWPXRSFIQGSGC-DDLJOBHESA-N |
| Molecular Weight |
692.026 g/mol |
| SMILES |
O[C@@]1(C2[C@@]3([C@@]([C@]([C@@]1(O)[H])(OC3)COCOC)(CCOCOC)[H])[C@](CC1[C@](C3(CC[C@@]21C)OCCO3)(C)[H])(OC(=O)OCC(Cl)(Cl)Cl)[H])[H] |
| SPLASH |
splash10-0udi-0900000000-14fd6c92d09acd180c89 |
| Source of Spectrum |
J-55-535-30 |
| Wiley ID |
1414661 |
![1,2,3,4,4a,5,6,8,8a,9,10-dodecahydro-3.alpha.,4.alpha.-dehydroxy1.alpha.[2-(methoxymethoxy)ethyl]-2.alpha.-((methoxymethoxy)methyl)-4b.beta.,8.alpha.-dimethyl-10.alpha.-[((2,2,2-trichlorothoxy)-carbonyl)oxy]-7H-2.beta.,10a.beta.-(epoxymethano)phenanthren-7-one 7-(ethylene acetal)](/api/spectrum/E0ggXAv6Ri6/structure.png?h=300&w=458 "1,2,3,4,4a,5,6,8,8a,9,10-dodecahydro-3.alpha.,4.alpha.-dehydroxy1.alpha.[2-(methoxymethoxy)ethyl]-2.alpha.-((methoxymethoxy)methyl)-4b.beta.,8.alpha.-dimethyl-10.alpha.-[((2,2,2-trichlorothoxy)-carbonyl)oxy]-7H-2.beta.,10a.beta.-(epoxymethano)phenanthren-7-one 7-(ethylene acetal)")
