| SpectraBase Compound ID | J1GIBlrPPoB |
|---|---|
| InChI | InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17?,19?,20?,21?,22?,24+,26+,27-,28-/m0/s1 |
| InChIKey | LDWRZKAVHDHGID-DNDLLVOISA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C28H40O6 |
| Exact Mass | 472.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | WLXxWUq1ky |
|---|---|
| Name | Jaborosalactone-D |
| Alternate Name(s) | 6-[(5alpha,6beta,20S)-5,6-dihydroxy-1-oxopregn-2-en-20-yl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O6 |
| InChI | InChI=1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17?,19?,20?,21?,22?,24+,26+,27-,28-/m0/s1 |
| InChIKey | LDWRZKAVHDHGID-DNDLLVOISA-N |
| Molecular Weight | 472.622 g/mol |
| SMILES | OCC=1C(OC([C@](C2CCC3C4C([C@@]5([C@@]([C@@](C4)(O)[H])(CC=CC5=O)O)C)CC[C@]23C)(C)[H])CC1C)=O |
| SPLASH | splash10-0007-7910000000-65d99a717a0ca6fbc48b |
| Source of Spectrum | PS-0-0-13 |
| Wiley ID | 551620 |