| SpectraBase Compound ID | 4GMtcy9vghX |
|---|---|
| InChI | InChI=1S/C27H42ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,30H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1/i14D,24D/t14?,16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+ |
| InChIKey | WBSRJZJYFUEVEB-KXBPRYAPSA-N |
| Mol Weight | 450.1 g/mol |
| Molecular Formula | C27H402D2ClNO2 |
| Exact Mass | 449.302961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3yz8XZ3FkzM |
|---|---|
| Name | Spirosol-5-en-15,17-D2-3-ol, 28-chloro-, (3.beta.,22.alpha.,25R)- |
| CAS Registry Number | 72154-77-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40D2ClNO2 |
| InChI | InChI=1S/C27H42ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,30H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1/i14D,24D/t14?,16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+ |
| InChIKey | WBSRJZJYFUEVEB-KXBPRYAPSA-N |
| Molecular Weight | 450.103 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]5([C@@](C([C@]4([C@@]3(CC=C2C1)[H])[H])[2D])([H])O[C@@]1([C@@]5(C)[H])N(C[C@@](CC1)(C)[H])Cl)[2D])C)[H])C)[H] |
| SPLASH | splash10-03dj-5900000000-16f450d42fa47addae20 |
| Source of Spectrum | B-32-796-0 |
| Synonyms | Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosol-5-en-15,17-D2-3-ol deriv. (25R)-N-chloro-22.alpha. N-(15.epsilon.,17.alpha.-2H2)spirosol-5-en-3.beta.-ol |
| Wiley ID | 1386974 |