| SpectraBase Compound ID | LSXyfVJ2olm |
|---|---|
| InChI | InChI=1S/C29H47NO3/c1-17-6-9-25(30(16-17)19(3)31)18(2)27-26(33)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,32-33H,6,8-16H2,1-5H3/t17-,18-,21?,22-,23+,24+,25-,26+,27?,28+,29+/m1/s1/i15D,27D/t15?,17-,18-,21?,22-,23+,24+,25-,26+,27?,28+,29+ |
| InChIKey | DLXYWVPYQPBPJB-WJKYBPLJSA-N |
| Mol Weight | 459.7 g/mol |
| Molecular Formula | C29H452D2NO3 |
| Exact Mass | 459.368148 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Iy753pTC41U |
|---|---|
| Name | 16,28-Secosolanid-5-ene-15,17-D2-3,16-diol, 28-acetyl-, (3.beta.,16.beta.,22.alpha.,25.beta.)- |
| CAS Registry Number | 72154-74-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45D2NO3 |
| InChI | InChI=1S/C29H47NO3/c1-17-6-9-25(30(16-17)19(3)31)18(2)27-26(33)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,32-33H,6,8-16H2,1-5H3/t17-,18-,21?,22-,23+,24+,25-,26+,27?,28+,29+/m1/s1/i15D,27D/t15?,17-,18-,21?,22-,23+,24+,25-,26+,27?,28+,29+ |
| InChIKey | DLXYWVPYQPBPJB-WJKYBPLJSA-N |
| Molecular Weight | 459.711 g/mol |
| SMILES | OC1CC[C@]2(C(=CC[C@]3([C@]4([C@@](C([C@](C4[2D])(O)[H])([C@@]([C@@]4(N(C(=O)C)C[C@@](CC4)(C)[H])[H])(C)[H])[2D])(CC[C@]23[H])C)[H])[H])C1)C |
| SPLASH | splash10-0a4i-0900100000-f110ee6b53adbab7a3b9 |
| Source of Spectrum | B-32-795-0 |
| Synonyms | (25R)-N-acetyl-22.alpha. N-(15.epsilon.,17.alpha.-2h*2)spirosol-5-en-3.beta.-ol |
| Wiley ID | 1389682 |