| SpectraBase Spectrum ID |
4dadySiDtDD |
| Name |
(22S,23S)-2.beta.,3.beta.,22,23-Tetrahydroxy-6,7-seco-5.beta.-stigmastan-6,7-lactone |
| Alternate Name(s) |
(1R,3aS,3bS,6aR,8R,9S,10aR,10bS,12aS)-1-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]-8,9-dihydroxy-10a,12a-dimethylhexadecahydro-6H-indeno[4,5-d][2]benzoxepin-6-one
(22R,23R)-2.beta.,3.beta.,22,23-Tetrahydroxy-6,7-seco-5.beta.-stigmastan-6,7-lactone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O6 |
| InChI |
InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,28+,29+/m0/s1 |
| InChIKey |
HJIKODJJEORHMZ-KUJDKZATSA-N |
| Molecular Weight |
494.713 g/mol |
| SMILES |
O[C@]([C@]([C@]([C@]1(CC[C@]2([C@@]3(COC([C@]4([C@](C[C@@]([C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])=O)[H])[H])[H])(C)[H])(O)[H])([C@](C(C)C)(CC)[H])[H] |
| SPLASH |
splash10-0gx0-0009000000-723d1adf528c0fa52920 |
| Source of Spectrum |
F-52-2447-9 |
| Wiley ID |
795270 |
