![3.beta.-[(3'-Methoxybenzoyl)oxy]-urs-12-en-28-oic Acid](/api/spectrum/I80ZrCXQv1/structure.png?h=300&w=458 "3.beta.-[(3'-Methoxybenzoyl)oxy]-urs-12-en-28-oic Acid")
| SpectraBase Compound ID | AE7LgfD5Zn9 |
|---|---|
| InChI | InChI=1S/C38H54O5/c1-23-14-19-38(33(40)41)21-20-36(6)27(31(38)24(23)2)12-13-29-35(5)17-16-30(34(3,4)28(35)15-18-37(29,36)7)43-32(39)25-10-9-11-26(22-25)42-8/h9-12,22-24,28-31H,13-21H2,1-8H3,(H,40,41)/t23-,24+,28?,29-,30+,31+,35+,36-,37-,38+/m1/s1 |
| InChIKey | SLFMCQVYVJOTMX-LLCQSSNZSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C38H54O5 |
| Exact Mass | 590.397125 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I80ZrCXQv1 |
|---|---|
| Name | 3.beta.-[(3'-Methoxybenzoyl)oxy]-urs-12-en-28-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H54O5 |
| InChI | InChI=1S/C38H54O5/c1-23-14-19-38(33(40)41)21-20-36(6)27(31(38)24(23)2)12-13-29-35(5)17-16-30(34(3,4)28(35)15-18-37(29,36)7)43-32(39)25-10-9-11-26(22-25)42-8/h9-12,22-24,28-31H,13-21H2,1-8H3,(H,40,41)/t23-,24+,28?,29-,30+,31+,35+,36-,37-,38+/m1/s1 |
| InChIKey | SLFMCQVYVJOTMX-LLCQSSNZSA-N |
| Molecular Weight | 590.845 g/mol |
| SMILES | OC([C@]12[C@](C=3[C@]([C@@]4(CCC5[C@@]([C@]4(CC3)[H])(CC[C@](OC(c3cc(OC)ccc3)=O)(C5(C)C)[H])C)C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H])=O |
| SPLASH | splash10-000m-0960000000-62fb26ecec31d98dc2e5 |
| Source of Spectrum | G4-60-1010-2 |
| Synonyms | (3beta,9alpha)-3-[(3-methoxybenzoyl)oxy]urs-12-en-28-oic acid |
| Wiley ID | 1606899 |