| SpectraBase Compound ID | 2ptwXFAbjiG |
|---|---|
| InChI | InChI=1S/C41H60O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h9,21-22,28-38H,10-20H2,1-8H3/t21-,22+,28-,29-,30+,31+,32+,33?,34+,35?,36?,37?,38?,39+,40+,41-/m1/s1 |
| InChIKey | PXJXBGMLNYZYPK-LVBNFRAXSA-N |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C41H60O12 |
| Exact Mass | 744.408477 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AwjnnSbxfHr |
|---|---|
| Name | Diosgenin 3-O-.beta.-D-glucopyranoside peracetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H60O12 |
| InChI | InChI=1S/C41H60O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h9,21-22,28-38H,10-20H2,1-8H3/t21-,22+,28-,29-,30+,31+,32+,33?,34+,35?,36?,37?,38?,39+,40+,41-/m1/s1 |
| InChIKey | PXJXBGMLNYZYPK-LVBNFRAXSA-N |
| Molecular Weight | 744.919 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@@](OC2C(C(OC(=O)C)C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)(C4)[H])C)[H])(C[C@@]2(O[C@]3([C@]([C@]12[H])(C)[H])OC[C@@](CC3)(C)[H])[H])[H])C |
| SPLASH | splash10-000t-0009000000-ed5111f653661ce9b31a |
| Source of Spectrum | BS-2-9-0 |
| Synonyms | Diosgenin-3-O-.beta.-glucopyranoside peracetate (3alpha,25R)-spirost-5-en-3-yl 2,3,4,6-tetra-O-acetylhexopyranoside |
| Wiley ID | 1416207 |