| SpectraBase Compound ID | JYEmdpCxVbo |
|---|---|
| InChI | InChI=1S/C31H48O2/c1-20-12-17-31(26(32)33-8)19-18-29(6)22(25(31)21(20)2)10-11-24-28(5)15-9-14-27(3,4)23(28)13-16-30(24,29)7/h9-10,14,20-21,23-25H,11-13,15-19H2,1-8H3/t20-,21+,23?,24-,25+,28+,29-,30-,31+/m1/s1 |
| InChIKey | FZXQFIJJPKOFID-JOPVTSRASA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C31H48O2 |
| Exact Mass | 452.365431 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B18fTyboccq |
|---|---|
| Name | METHYL URSA-2,12-DIEN-28-OATE |
| CAS Registry Number | 25529-07-1 |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 452.365430784 u |
| Formula | C31H48O2 |
| InChI | InChI=1S/C31H48O2/c1-20-12-17-31(26(32)33-8)19-18-29(6)22(25(31)21(20)2)10-11-24-28(5)15-9-14-27(3,4)23(28)13-16-30(24,29)7/h9-10,14,20-21,23-25H,11-13,15-19H2,1-8H3/t20-,21+,23?,24-,25+,28+,29-,30-,31+/m1/s1 |
| InChIKey | FZXQFIJJPKOFID-JOPVTSRASA-N |
| Molecular Weight | 452.723 g/mol |
| Nominal Mass | 452 u |
| Number of Peaks | 213 |
| SMILES | C1=CC[C@@]2([C@]3(CC=C4[C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C(=O)OC)(C)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-0w2i-3980000000-8e389842b77fd6016144 |
| Source File Reference | LMCM-33136-735H |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | 1,2,6A,6B,9,9,12A-HEPTAMETHYL-1,3,4,5,6,6A,6B,7,8,8A,9,12,12A,12B,13,14B-HEXADECAHYDRO-2H-PICENE-4A-CARBOXYLIC ACID METHYL ESTER methyl (1S,2R,4aS,6aS,6bR,12aS,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylate |
| Wiley ID | 8_13458 |