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ROCKOGENIN;(25R)-5-ALPHA-SPIROSTAN-3-BETA,12-BETA-DIOL
SpectraBase Compound ID AKKxboWaFuH
InChI InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey BQNMOLSYHYSCMS-WRUWQCAESA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3g6BPg4AoK8
Name ROCKOGENIN;(25R)-5-ALPHA-SPIROSTAN-3-BETA,12-BETA-DIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey BQNMOLSYHYSCMS-WRUWQCAESA-N
Literature Reference Author A.V.PATEL,G.BLUNDEN,T.A.CRABB
Literature Reference Citation PHYTOCHEM.,35,125(1994)
Literature Reference DOI 10.1016/s0031-9422(00)90520-x
Molecular Weight 432.644 g/mol
Solvent C5D5N
Source File Reference UWLU24091