| SpectraBase Compound ID | 2S0tUF2t0ti |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3 |
| InChIKey | QDSWHJNTSPBQME-UHFFFAOYSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4RRJkBJsEwd |
|---|---|
| Name | Tinotofulin B - methyl ester |
| Alternate Name(s) | 1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, methyl ester, [4aS-(4a.alpha.,5.alpha.,6.beta.,8a.beta.)]- Methyl 5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate Methyl 5-[2'-(3''-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-1-naphthalebnecarboxylate 5-[2-(3-furanyl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester 5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester methyl 5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate methyl 5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate |
| CAS Registry Number | 56630-98-9 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3 |
| InChIKey | QDSWHJNTSPBQME-UHFFFAOYSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | C12(C(C(=O)OC)=CCCC2C(CCc2cocc2)(C)C(CC1)C)C |
| SPLASH | splash10-001i-0009000000-5d25cbec6e4713936a07 |
| Source of Spectrum | U-1993-326-0 |
| Wiley ID | 764889 |