| SpectraBase Compound ID | CThKzALhZri |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-25(2)10-12-29(24(36)37)13-11-27(4)17(21(29)23(25)35)6-7-19-26(3)14-18(33)22(34)30(15-31,16-32)20(26)8-9-28(19,27)5/h6,18-23,31-35H,7-16H2,1-5H3,(H,36,37)/t18-,19?,20?,21?,22+,23+,26-,27+,28-,29+/m1/s1 |
| InChIKey | AMUBZPULDIMIKH-DWVXLHPDSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 45yYhliE8e |
|---|---|
| Name | Bellericagenin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-25(2)10-12-29(24(36)37)13-11-27(4)17(21(29)23(25)35)6-7-19-26(3)14-18(33)22(34)30(15-31,16-32)20(26)8-9-28(19,27)5/h6,18-23,31-35H,7-16H2,1-5H3,(H,36,37)/t18-,19?,20?,21?,22+,23+,26-,27+,28-,29+/m1/s1 |
| InChIKey | AMUBZPULDIMIKH-DWVXLHPDSA-N |
| Molecular Weight | 520.707 g/mol |
| SMILES | OCC1(C2CC[C@]3([C@@]4(C(=CCC3[C@]2(C[C@]([C@@]1(O)[H])(O)[H])C)C1[C@@](CC4)(CCC([C@]1(O)[H])(C)C)C(=O)O)C)C)CO |
| SPLASH | splash10-0f7a-0490000000-4decda9142f24dc42829 |
| Source of Spectrum | F-48-2490-2 |
| Synonyms | (1S,4aR,6aR,6bR,10R,11R,12aR)-1,10,11-Trihydroxy-9,9-bis-hydroxymethyl-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid (2alpha,7alpha)-2,3,7,23,24-pentahydroxyolean-12-en-28-oic acid |
| Wiley ID | 1401997 |