| SpectraBase Compound ID | 4smv6UbTgTk |
|---|---|
| InChI | InChI=1S/C22H30O7/c1-12-7-20-10-22(12,27)6-5-14(20)21(11-23)9-13(24)8-19(2,18(26)29-4)16(21)15(20)17(25)28-3/h11,13-16,24,27H,1,5-10H2,2-4H3/t13-,14-,15-,16-,19?,20+,21-,22+/m1/s1 |
| InChIKey | QLIWRCOPUIODRQ-PWIWELRZSA-N |
| Mol Weight | 406.48 g/mol |
| Molecular Formula | C22H30O7 |
| Exact Mass | 406.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 56fwxJMqwux |
|---|---|
| Name | Dimethyl ent-2.alpha.,13-dihydroxy-20-oxogibberell-16-en-7,19-dioate(Ga99 dimethyl ester) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O7 |
| InChI | InChI=1S/C22H30O7/c1-12-7-20-10-22(12,27)6-5-14(20)21(11-23)9-13(24)8-19(2,18(26)29-4)16(21)15(20)17(25)28-3/h11,13-16,24,27H,1,5-10H2,2-4H3/t13-,14-,15-,16-,19?,20+,21-,22+/m1/s1 |
| InChIKey | QLIWRCOPUIODRQ-PWIWELRZSA-N |
| Molecular Weight | 406.475 g/mol |
| SMILES | O[C@@]12C[C@]3([C@]([C@@]4(C[C@@](CC([C@]4([C@@]3(C(=O)OC)[H])[H])(C(=O)OC)C)(O)[H])C=O)(CC2)[H])CC1=C |
| SPLASH | splash10-0kkl-1209000000-144e30f5c6e54aa0059a |
| Source of Spectrum | AT-37-726-6 |
| Wiley ID | 853388 |