| SpectraBase Compound ID | F3aur68wvls |
|---|---|
| InChI | InChI=1S/C30H50O4/c1-26(2)22(31)12-15-28(5)18-19(8-11-24(28)33-26)20-9-10-21-29(20,6)17-14-25-30(21,7)16-13-23(32)27(3,4)34-25/h21-25,31-32H,8-18H2,1-7H3/b20-19+/t21-,22-,23+,24+,25+,28+,29-,30+/m1/s1 |
| InChIKey | QLATVJRWYRQNSO-YJTSMOIQSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DEpraw2SKv4 |
|---|---|
| Name | Abudinol B |
| Alternate Name(s) | (3S,5aS,7aS,8E,10aR,10bS)-8-((3R,5aS,9aS)-3-hydroxy-2,2,5a-trimethyloctahydro-1-benzoxepin-7(6H)-ylidene)-4,4,7a,10b-tetramethyldodecahydro-2H-indeno[5,4-b]oxepin-3-ol (3S,5aS,7aS,8E,10aR,10bS)-8-[(3R,5aS,9aS)-2,2,5a-trimethyl-3-oxidanyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-ylidene]-4,4,7a,10b-tetramethyl-2,3,5a,6,7,9,10,10a-octahydro-1H-indeno[5,4-b]oxepin-3-ol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O4 |
| InChI | InChI=1S/C30H50O4/c1-26(2)22(31)12-15-28(5)18-19(8-11-24(28)33-26)20-9-10-21-29(20,6)17-14-25-30(21,7)16-13-23(32)27(3,4)34-25/h21-25,31-32H,8-18H2,1-7H3/b20-19+/t21-,22-,23+,24+,25+,28+,29-,30+/m1/s1 |
| InChIKey | QLATVJRWYRQNSO-YJTSMOIQSA-N |
| Molecular Weight | 474.726 g/mol |
| SMILES | O[C@@]1(CC[C@]2(C\C(=C\3[C@@]4([C@]([C@@]5(CC[C@@](C(O[C@]5(CC4)[H])(C)C)(O)[H])C)(CC3)[H])C)CC[C@@]2(OC1(C)C)[H])C)[H] |
| SPLASH | splash10-014i-0000900000-c45b37dec0c053d74975 |
| Source of Spectrum | F-55-5565-2 |
| Wiley ID | 837783 |