| SpectraBase Compound ID | 6OeJrE2lRs8 |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-19-10-15-31(26(33)34)17-16-29(6)21(25(31)20(19)2)8-9-23-28(5)13-12-24(35-18-32)27(3,4)22(28)11-14-30(23,29)7/h8,18-20,22-25H,9-17H2,1-7H3,(H,33,34)/t19-,20+,22-,23+,24+,25+,28+,29-,30-,31+/m1/s1 |
| InChIKey | OECMCPLQZXRLFK-IUQYOTGCSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C31H48O4 |
| Exact Mass | 484.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A8A9x2SebGu |
|---|---|
| Name | 3.beta.-(Formyloxy)urs-11-en-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O4 |
| InChI | InChI=1S/C31H48O4/c1-19-10-15-31(26(33)34)17-16-29(6)21(25(31)20(19)2)8-9-23-28(5)13-12-24(35-18-32)27(3,4)22(28)11-14-30(23,29)7/h8,18-20,22-25H,9-17H2,1-7H3,(H,33,34)/t19-,20+,22-,23+,24+,25+,28+,29-,30-,31+/m1/s1 |
| InChIKey | OECMCPLQZXRLFK-IUQYOTGCSA-N |
| Molecular Weight | 484.721 g/mol |
| SMILES | OC([C@]12[C@](C=3[C@]([C@@]4(CC[C@]5([C@@]([C@@]4(CC3)[H])(CC[C@](OC=O)(C5(C)C)[H])C)[H])C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H])=O |
| SPLASH | splash10-000t-0190300000-e156097ee93c31f2f8ce |
| Source of Spectrum | F-50-11483-3 |
| Synonyms | (3beta,9alpha,13beta)-3-(formyloxy)urs-11-en-28-oic acid 3.beta.-(Formyloxy)urs-12-en-28-oic acid |
| Wiley ID | 789475 |