| SpectraBase Compound ID | 1DUiBtYkZuN |
|---|---|
| InChI | InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/b17-14+ |
| InChIKey | SKSWXHZBFRPYAH-SAPNQHFASA-N |
| Mol Weight | 556.9 g/mol |
| Molecular Formula | C39H56O2 |
| Exact Mass | 556.428031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H8e2A5q8DUb |
|---|---|
| Name | Urs-12-en-3-ol, 3-phenyl-2-propenoate, (3.beta.)- |
| CAS Registry Number | 13161-35-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H56O2 |
| InChI | InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/b17-14+ |
| InChIKey | SKSWXHZBFRPYAH-SAPNQHFASA-N |
| Molecular Weight | 556.875 g/mol |
| SMILES | CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)\C=C\c6ccccc6)C(C)(C)C5CCC34C)C2C1C |
| SPLASH | splash10-0pvi-0390230000-ee8aa157df6e7ea214df |
| Source of Spectrum | T-68-5895-0 |
| Synonyms | Urs-12-en-3-yl (2E)-3-phenyl-2-propenoate (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) (E)-3-phenylprop-2-enoate (E)-3-phenyl-2-propenoic acid (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) ester (E)-3-phenylacrylic acid (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) ester .alpha.-Amyrin cinnamate Urs-12-en-3.beta.-ol, cinnamate |
| Wiley ID | 1406455 |