| SpectraBase Compound ID | IrbliRpSQY8 |
|---|---|
| InChI | InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19?,21-,22?,23+,24?,25?,26+,27-,29+,30-/m0/s1 |
| InChIKey | XIHQWIIPJIXLEO-MPFNGXCFSA-N |
| Mol Weight | 466.7 g/mol |
| Molecular Formula | C30H46N2O2 |
| Exact Mass | 466.355929 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E6ZUxS7JXO |
|---|---|
| Name | 2.beta.-hydroxypypachysamine D |
| Alternate Name(s) | N-[(2beta,3beta,5alpha)-20-(dimethylamino)-2-hydroxypregnan-3-yl]benzamide N-[20-(Dimethylamino)-2.beta.-hydroxy-5.alpha.-pregnane-3.beta.-yl]-benzamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46N2O2 |
| InChI | InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19?,21-,22?,23+,24?,25?,26+,27-,29+,30-/m0/s1 |
| InChIKey | XIHQWIIPJIXLEO-MPFNGXCFSA-N |
| Molecular Weight | 466.710 g/mol |
| SMILES | O[C@]1(C[C@]2([C@](C[C@]1(NC(=O)c1ccccc1)[H])(CCC1C3[C@](CCC21)([C@](CC3)(C(N(C)C)C)[H])C)[H])C)[H] |
| SPLASH | splash10-00di-9300000000-548ebcaf4c0037c3ae9f |
| Source of Spectrum | H-85-687-3 |
| Wiley ID | 1524231 |