| SpectraBase Compound ID | JLPSIKItYyZ |
|---|---|
| InChI | InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19?,20?,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | IFIQVSCCFRXSJV-QRPQHJCPSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C30H48O6 |
| Exact Mass | 504.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JYGRweBEUmt |
|---|---|
| Name | Tomentosic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O6 |
| InChI | InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19?,20?,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | IFIQVSCCFRXSJV-QRPQHJCPSA-N |
| Molecular Weight | 504.708 g/mol |
| SMILES | OC[C@]1(C2CC[C@]3([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CCC([C@@]5(O)[H])(C)C)[H])=CCC3[C@]2(C[C@]([C@@]1(O)[H])(O)[H])C)C)C)C |
| SPLASH | splash10-0udi-0090130000-b0035bc4ce78d2b107b8 |
| Source of Spectrum | KC-0-1449-1 |
| Synonyms | (2alpha,3beta,4beta,19beta)-2,3,19,23-tetrahydroxyolean-12-en-28-oic acid |
| Wiley ID | 820561 |