| SpectraBase Compound ID | 730PY8YEoWP |
|---|---|
| InChI | InChI=1S/C41H62O12/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/h21-22,27-38H,9-20H2,1-8H3/t21?,22?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?/m0/s1 |
| InChIKey | HQTSFQOSFUBDPX-LGNFQFCJSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C41H62O12 |
| Exact Mass | 746.424127 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CQxtL0f8esC |
|---|---|
| Name | Tigogenin 3-O-.beta.-D-glucopyranoside peracetate |
| Alternate Name(s) | (3beta)-spirostan-3-yl 2,3,4,6-tetra-O-acetylhexopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H62O12 |
| InChI | InChI=1S/C41H62O12/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/h21-22,27-38H,9-20H2,1-8H3/t21?,22?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?/m0/s1 |
| InChIKey | HQTSFQOSFUBDPX-LGNFQFCJSA-N |
| Molecular Weight | 746.935 g/mol |
| SMILES | C12(C(C3CCC4C(C3CC2)(CC[C@](OC2C(C(OC(=O)C)C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)(C4)[H])C)CC2OC3(C(C12)C)OCC(CC3)C)C |
| SPLASH | splash10-0012-0089005400-6d119ac3afd13e41d742 |
| Source of Spectrum | BS-2-16-0 |
| Wiley ID | 1416244 |