| SpectraBase Compound ID | 3EHLOmApGuI |
|---|---|
| InChI | InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1 |
| InChIKey | QLDNWJOJCDIMKK-WHEMHEAOSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KnF20wLTxUP |
|---|---|
| Name | (3S,4S,5S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Alternate Name(s) | (3S,4S,5S,10S,13R,14S,17R)-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1 |
| InChIKey | QLDNWJOJCDIMKK-WHEMHEAOSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C3=C([C@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])CC[C@]2([C@@]1(C)[H])[H])C)[H] |
| SPLASH | splash10-0bta-9037700000-ff92852bc6adb73362fd |
| Source of Spectrum | KC-0-499-1 |
| Wiley ID | 827458 |