| SpectraBase Spectrum ID |
KXmsNcZJd2K |
| Name |
Acetic acid 10,11-diacetoxy-9,10,11,11a-tetrahydro-7aH-7,8-dioxa-12-thia-benzo[a]anthracen-9-ylmethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O8S |
| InChI |
InChI=1S/C22H22O8S/c1-11(23)26-10-17-18(27-12(2)24)19(28-13(3)25)21-22(30-17)29-16-9-8-14-6-4-5-7-15(14)20(16)31-21/h4-9,17-19,21-22H,10H2,1-3H3/t17-,18-,19-,21+,22-/m0/s1 |
| InChIKey |
PDSUZGQIWWUWIG-WODKUCBQSA-N |
| Molecular Weight |
446.470 g/mol |
| SMILES |
[C@@]12([C@]([C@@](OC(=O)C)([C@@](O[C@@]2(Oc2c(S1)c1c(cc2)cccc1)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])[H] |
| SPLASH |
splash10-0002-0900200000-030cbb349113af2e05a1 |
| Source of Spectrum |
QE-5-1752-acetylation of 13-beta |
| Wiley ID |
844189 |
![Acetic acid 10,11-diacetoxy-9,10,11,11a-tetrahydro-7aH-7,8-dioxa-12-thia-benzo[a]anthracen-9-ylmethyl ester](/api/spectrum/KXmsNcZJd2K/structure.png?h=300&w=458 "Acetic acid 10,11-diacetoxy-9,10,11,11a-tetrahydro-7aH-7,8-dioxa-12-thia-benzo[a]anthracen-9-ylmethyl ester")
