| SpectraBase Spectrum ID |
BUrM9Lm2PYj |
| Name |
4a(S),4b(R),5(R),5b(S),9a(R),10a(S),11a(R)-Benzoic acid, 2-iodo-7,7-dimethyl-1,4,4a,5,5a,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[b]fluoren-5-yl ester |
| Alternate Name(s) |
Benzoic acid (3S,4R,4bR,5R,5aS,9aR,10aS)-2-iodo-7,7-dimethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxa-benzo[b]fluoren-5-yl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25IO6 |
| InChI |
InChI=1S/C22H25IO6/c1-22(2)25-11-16-18(29-22)19(28-20(24)12-6-4-3-5-7-12)17-14-9-8-13(23)10-15(14)26-21(17)27-16/h3-8,14-19,21H,9-11H2,1-2H3/t14-,15-,16-,17-,18-,19-,21+/m1/s1 |
| InChIKey |
UVBSXACSXAOQLM-KVEAKOOHSA-N |
| Molecular Weight |
512.340 g/mol |
| SMILES |
[C@@]12([C@@](O[C@]3([C@]2(CC=C(I)C3)[H])[H])(O[C@]2([C@]([C@@]1(OC(=O)c1ccccc1)[H])(OC(OC2)(C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-e26d5d70b6c337ffe9b1 |
| Source of Spectrum |
F-53-8417-(R)G2a |
| Wiley ID |
802612 |
![4a(S),4b(R),5(R),5b(S),9a(R),10a(S),11a(R)-Benzoic acid, 2-iodo-7,7-dimethyl-1,4,4a,5,5a,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[b]fluoren-5-yl ester](/api/spectrum/BUrM9Lm2PYj/structure.png?h=300&w=458 "4a(S),4b(R),5(R),5b(S),9a(R),10a(S),11a(R)-Benzoic acid, 2-iodo-7,7-dimethyl-1,4,4a,5,5a,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[b]fluoren-5-yl ester")
