| SpectraBase Spectrum ID |
2RJn5k1gmHs |
| Name |
4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-2-iodo-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether |
| Alternate Name(s) |
(4aR,5aS,6aS,10aS,10bR,11R,11aS)-11-(benzyloxy)-8-iodo-2,2,10,10-tetramethyl-4,4a,5a,6a,7,10,10a,10b,11,11a-decahydro[1,3]dioxino[4',5':5,6]pyrano[2,3-b][1]benzofuran
(4aR,5aS,6aS,10aS,10bR,11R,11aS)-8-iodo-2,2,10,10-tetramethyl-4,4a,5a,6a,7,10,10a,10b,11,11a-decahydro[1,3]dioxino[4',5':5,6]pyrano[2,3-b][1]benzofuran-11-yl benzyl ether |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31IO5 |
| InChI |
InChI=1S/C24H31IO5/c1-23(2)11-15(25)10-16-19(23)18-21(26-12-14-8-6-5-7-9-14)20-17(29-22(18)28-16)13-27-24(3,4)30-20/h5-9,11,16-22H,10,12-13H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-/m0/s1 |
| InChIKey |
WAIVEVNVSVDVLQ-CKBSPGBPSA-N |
| Molecular Weight |
526.411 g/mol |
| SMILES |
[C@@]12([C@@](O[C@@]3([C@@]2(C(C=C(C3)I)(C)C)[H])[H])(O[C@]2([C@]([C@@]1(OCc1ccccc1)[H])(OC(OC2)(C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-0006-9000000000-3c539c9bc3ee9d0ded74 |
| Source of Spectrum |
F-53-8397-4 |
| Wiley ID |
802637 |
![4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-2-iodo-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether](/api/spectrum/2RJn5k1gmHs/structure.png?h=300&w=458 "4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-2-iodo-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether")
