| SpectraBase Compound ID | DekZKriLPqN |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-16(2)18-14-20(32)24-29(7)11-8-17-23(28(29,6)12-13-30(18,24)25(34)35)19(31)15-21-26(3,4)22(33)9-10-27(17,21)5/h8,16,18-21,23-24,31-32H,9-15H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,23-,24+,27+,28-,29+,30+/m0/s1 |
| InChIKey | AFMHRCRCZJKBKZ-LPYXLCIUSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXPvPTd7U0j |
|---|---|
| Name | 28-arboxy-7.beta.,19.alpha.-dihydroxyarbon-9(11)-en-3-one |
| Alternate Name(s) | Rubiarbonone F |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-16(2)18-14-20(32)24-29(7)11-8-17-23(28(29,6)12-13-30(18,24)25(34)35)19(31)15-21-26(3,4)22(33)9-10-27(17,21)5/h8,16,18-21,23-24,31-32H,9-15H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,23-,24+,27+,28-,29+,30+/m0/s1 |
| InChIKey | AFMHRCRCZJKBKZ-LPYXLCIUSA-N |
| Instrument Name | VG 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020038k |
| Molecular Weight | 486.693 g/mol |
| Optical Rotation | [a]D = +26.4 (c = 0.06, MeOH) |
| Reported Formula | C30H46O5 |
| SMILES | O[C@]1([C@]2([C@@](CC[C@@]3([C@@]2(CC=C2[C@]3([C@](C[C@]3(C(C(CC[C@]23C)=O)(C)C)[H])(O)[H])[H])C)C)([C@@](C1)(C(C)C)[H])C(=O)O)[H])[H] |
| SPLASH | splash10-0a59-9422300000-fe0e9b15f899c4a26487 |
| Source of Spectrum | G4-65-1286-2 |
| Wiley ID | 1883848 |