| SpectraBase Spectrum ID |
XRneoOte6A |
| Name |
Methyl 22.alpha.-hydroxy-3,4-secostictan-3-oate |
| CAS Registry Number |
119986-80-0 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H54O3 |
| InChI |
InChI=1S/C31H54O3/c1-20(2)21-12-16-30(7)23(28(21,5)15-14-25(32)34-9)10-11-24-29(6)19-18-27(3,4)26(33)22(29)13-17-31(24,30)8/h20-24,26,33H,10-19H2,1-9H3/t21?,22?,23-,24?,26+,28-,29+,30-,31-/m0/s1 |
| InChIKey |
CNUGJPFMFWVQJN-BMNWLPRVSA-N |
| Molecular Weight |
474.770 g/mol |
| SMILES |
O[C@@]1(C2CC[C@@]3([C@@]4([C@@]([C@](CCC(=O)OC)(C)C(CC4)C(C)C)([H])CCC3[C@@]2(CCC1(C)C)C)C)C)[H] |
| SPLASH |
splash10-052r-0857900000-c6f478053977d9d7f0fc |
| Source of Spectrum |
B-41-149-2 |
| Synonyms |
Methyl 3-[(1S,4aS,4bS,7R,10aS,12aS)-7-hydroxy-2-isopropyl-1,4a,4b,8,8,10a-hexamethyloctadecahydro-1-chrysenyl]propanoate |
| Wiley ID |
1394031 |
