| SpectraBase Compound ID | GyEqJUQMlhH |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35) |
| InChIKey | PHFUCJXOLZAQNH-UHFFFAOYSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | El1BpKZxKNM |
|---|---|
| Name | Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3.beta.)- |
| Alternate Name(s) | 3-(Acetyloxy)urs-12-en-28-oic acid 10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Acetylursolic acid Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)- |
| CAS Registry Number | 7372-30-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35) |
| InChIKey | PHFUCJXOLZAQNH-UHFFFAOYSA-N |
| Molecular Weight | 498.748 g/mol |
| SMILES | OC(C12CCC(C)C(C2C=2C(CC1)(C1(C(CC2)C2(C(CC1)C(C(CC2)OC(=O)C)(C)C)C)C)C)C)=O |
| SPLASH | splash10-0002-0490000000-a9d7c5c552a7959f21d1 |
| Source of Spectrum | W5-36646-28890-28890 |
| Wiley ID | 1398643 |