| SpectraBase Compound ID | FNuZb5hMOd |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,13,19-21,23-26,28H,10-12,14-18H2,1-7H3/b9-8+/t20-,21+,23-,24-,25-,26+,28-,29-,30+/m0/s1 |
| InChIKey | OHRMRKIWNRAKLQ-NFRXLVSLSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 25jptOfA5im |
|---|---|
| Name | 3 beta-acetoxy-5 alpha-ergost-14,15-22,23-diene |
| Alternate Name(s) | (3S,5S,8R,9S,10S,13R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate Acetic acid [(3S,5S,8R,9S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,13,19-21,23-26,28H,10-12,14-18H2,1-7H3/b9-8+/t20-,21+,23-,24-,25-,26+,28-,29-,30+/m0/s1 |
| InChIKey | OHRMRKIWNRAKLQ-NFRXLVSLSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | C1=2[C@@]([C@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])([H])CC2)(CC[C@@]2([C@@]3([C@@](C[C@@](OC(=O)C)(CC3)[H])([H])CC[C@@]12[H])C)[H])C |
| SPLASH | splash10-03xr-9008000000-6771c27fa61eac0938b5 |
| Source of Spectrum | JX-2015-6-12882 |
| Wiley ID | 1731353 |