| SpectraBase Compound ID | 1D3CT3i2xGM |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-13-7-8-18-21(3,4)9-6-10-22(18,5)16(13)12-17(26-14(2)23)15-11-19(24)27-20(15)25/h7,11,16-19,24H,6,8-10,12H2,1-5H3/t16-,17+,18-,19?,22+/m0/s1 |
| InChIKey | DHQSQFPRIZQRHJ-YMKPUTNUSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EPeWeKwPhrT |
|---|---|
| Name | (12R)-12-Acetoxy-15-hydroxylabda-7,13-dien-16,15-olide |
| Appearance | syrup |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-13-7-8-18-21(3,4)9-6-10-22(18,5)16(13)12-17(26-14(2)23)15-11-19(24)27-20(15)25/h7,11,16-19,24H,6,8-10,12H2,1-5H3/t16-,17+,18-,19?,22+/m0/s1 |
| InChIKey | DHQSQFPRIZQRHJ-YMKPUTNUSA-N |
| Instrument Name | Hewlett-Packard HP 5989A |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np010590u |
| Molecular Weight | 376.493 g/mol |
| SMILES | OC1OC(C([C@@](C[C@]2(C(=CC[C@]3(C(CCC[C@]23C)(C)C)[H])C)[H])(OC(=O)C)[H])=C1)=O |
| SPLASH | splash10-0aou-6901000000-a5306efeaabdff02ab4d |
| Source of Spectrum | G4-65-666-21 |
| Wiley ID | 1883649 |