| SpectraBase Compound ID | I9X5ZlcfBJn |
|---|---|
| InChI | InChI=1S/C34H50O11/c1-17(24-9-6-18(15-35)30(41)44-24)21-5-4-11-34(42)23-8-7-19-13-20(43-31-29(40)28(39)27(38)25(16-36)45-31)14-26(37)33(19,3)22(23)10-12-32(21,34)2/h6-7,17,20-25,27-29,31,35-36,38-40,42H,4-5,8-16H2,1-3H3/t17-,20-,21?,22?,23?,24?,25?,27?,28?,29?,31?,32-,33+,34-/m1/s1 |
| InChIKey | NDOZANXJPVWDHC-KQHNUBGGSA-N |
| Mol Weight | 634.8 g/mol |
| Molecular Formula | C34H50O11 |
| Exact Mass | 634.335312 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8treTzGJZAR |
|---|---|
| Name | (20R,22R)-20,27-Dihydroxy-1-oxowitha-5,24-dienolide-3.beta.-(O-.beta.,D-glucopyranoside) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O11 |
| InChI | InChI=1S/C34H50O11/c1-17(24-9-6-18(15-35)30(41)44-24)21-5-4-11-34(42)23-8-7-19-13-20(43-31-29(40)28(39)27(38)25(16-36)45-31)14-26(37)33(19,3)22(23)10-12-32(21,34)2/h6-7,17,20-25,27-29,31,35-36,38-40,42H,4-5,8-16H2,1-3H3/t17-,20-,21?,22?,23?,24?,25?,27?,28?,29?,31?,32-,33+,34-/m1/s1 |
| InChIKey | NDOZANXJPVWDHC-KQHNUBGGSA-N |
| Molecular Weight | 634.763 g/mol |
| SMILES | O[C@@]12C3CC=C4[C@](C(C[C@](OC5C(C(C(C(O5)CO)O)O)O)(C4)[H])=O)(C3CC[C@@]2(C(CCC1)[C@](C1OC(=O)C(=CC1)CO)(C)[H])C)C |
| SPLASH | splash10-00di-0901000000-ed7ebfec3472eb5d79fb |
| Source of Spectrum | E2-47-480-3 |
| Wiley ID | 1554807 |