| SpectraBase Compound ID | 2xsRX1nhVmH |
|---|---|
| InChI | InChI=1S/C28H38O3/c1-16-19-10-12-27(5)23(26(19,4)14-22(30)24(16)31)8-7-20-18-13-25(2,3)11-9-17(18)21(29)15-28(20,27)6/h7,14,17-18,23,30H,8-13,15H2,1-6H3/t17-,18+,23+,26-,27+,28+/m0/s1 |
| InChIKey | RZJRSJIUNPKJLS-NOPRNUEKSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C28H38O3 |
| Exact Mass | 422.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jjizl5f9CuV |
|---|---|
| Name | Remangilone B |
| Alternate Name(s) | (6aR,6bS,8aS,12aR,14aS,14bS)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-6,6a,6b,8a,9,10,11,12,12a,14,14a,14b-dodecahydro-3,8(5H,7H)-picenedione (6aR,6bS,8aS,12aR,14aS,14bS)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione (6aR,6bS,8aS,12aR,14aS,14bS)-4,6a,6b,11,11,14b-hexamethyl-2-oxidanyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O3 |
| InChI | InChI=1S/C28H38O3/c1-16-19-10-12-27(5)23(26(19,4)14-22(30)24(16)31)8-7-20-18-13-25(2,3)11-9-17(18)21(29)15-28(20,27)6/h7,14,17-18,23,30H,8-13,15H2,1-6H3/t17-,18+,23+,26-,27+,28+/m0/s1 |
| InChIKey | RZJRSJIUNPKJLS-NOPRNUEKSA-N |
| Molecular Weight | 422.609 g/mol |
| SMILES | OC1=C[C@@]2([C@@]3([C@]([C@]4(C([C@@]5(CC(C)(C)CC[C@@]5(C(C4)=O)[H])[H])=CC3)C)(CCC2=C(C1=O)C)C)[H])C |
| SPLASH | splash10-0udi-0900100000-6442528c49ae1494aa0c |
| Source of Spectrum | G4-62-475-2 |
| Wiley ID | 1607777 |