| SpectraBase Compound ID | FjLJSEJ5vLV |
|---|---|
| InChI | InChI=1S/C29H44O7/c1-17-7-8-27(23(34)35)11-9-24(2)18(19(27)13-17)5-6-20-25(24,3)10-12-29(36)26(20,4)21(32)14-22(33)28(29,15-30)16-31/h5,19-22,30-33,36H,1,6-16H2,2-4H3,(H,34,35)/t19?,20?,21-,22+,24?,25?,26?,27?,29+/m1/s1 |
| InChIKey | QNGKJIVXPKRSAZ-MHPOJOCZSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C29H44O7 |
| Exact Mass | 504.308704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GyTI0zLvBU |
|---|---|
| Name | 1.beta.,3.beta.,5.alpha.,23,24-Pentahydroxy-30-norolean-12-20(29)-dien-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O7 |
| InChI | InChI=1S/C29H44O7/c1-17-7-8-27(23(34)35)11-9-24(2)18(19(27)13-17)5-6-20-25(24,3)10-12-29(36)26(20,4)21(32)14-22(33)28(29,15-30)16-31/h5,19-22,30-33,36H,1,6-16H2,2-4H3,(H,34,35)/t19?,20?,21-,22+,24?,25?,26?,27?,29+/m1/s1 |
| InChIKey | QNGKJIVXPKRSAZ-MHPOJOCZSA-N |
| Molecular Weight | 504.664 g/mol |
| SMILES | OC(C12CCC3(C(=CCC4C5([C@](C(CO)([C@](C[C@]5(O)[H])(O)[H])CO)(CCC34C)O)C)C2CC(CC1)=C)C)=O |
| SPLASH | splash10-053i-5980100000-6f4915105d681e6f6dba |
| Source of Spectrum | E2-48-1772-1 |
| Wiley ID | 1555451 |