| SpectraBase Compound ID | HG8USbgvIKP |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-18-8-13-30(17-31)15-14-28(6)20(24(30)19(18)2)16-21(32)25-27(5)11-10-23(33)26(3,4)22(27)9-12-29(25,28)7/h16,18-19,22,24-25,31H,8-15,17H2,1-7H3/t18-,19+,22?,24+,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | CTTJSWLTAZKFDV-LOTLYCNJSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KiOq9y4Gajv |
|---|---|
| Name | Krukovine B |
| Alternate Name(s) | (9alpha)-28-hydroxyurs-12-ene-3,11-dione 28-Hydroxy-urs-12-ene-3,11-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-18-8-13-30(17-31)15-14-28(6)20(24(30)19(18)2)16-21(32)25-27(5)11-10-23(33)26(3,4)22(27)9-12-29(25,28)7/h16,18-19,22,24-25,31H,8-15,17H2,1-7H3/t18-,19+,22?,24+,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | CTTJSWLTAZKFDV-LOTLYCNJSA-N |
| Molecular Weight | 454.695 g/mol |
| SMILES | OC[C@]12[C@](C=3[C@]([C@@]4(CCC5[C@@]([C@]4(C(C3)=O)[H])(CCC(=O)C5(C)C)C)C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H] |
| SPLASH | splash10-000j-0090600000-72b673168dc9ce8e00f9 |
| Source of Spectrum | G4-60-1177-2 |
| Wiley ID | 1606948 |