| SpectraBase Compound ID | ApI5BW0sukn |
|---|---|
| InChI | InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3 |
| InChIKey | MRNPHCMRIQYRFU-UHFFFAOYSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 50fM33rBB2 |
|---|---|
| Name | D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3-methoxy-, (3.beta.)- |
| CAS Registry Number | 4555-56-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3 |
| InChIKey | MRNPHCMRIQYRFU-UHFFFAOYSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | CC12C(C)(C3C(=CC2)C2(C)C(CC3)C(C)(C)C(CC2)OC)CCC2(C1CCC2C(C)C)C |
| SPLASH | splash10-05bf-0950100000-d48f664845012d76057c |
| Source of Spectrum | T-67-4995-0 |
| Synonyms | 3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene 3-isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene 9-Methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene Arundoin D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3.beta.-methoxy- Fernenol methyl ether |
| Wiley ID | 60093 |