SpectraBase Compound ID | H8Z8TU7628k |
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InChI | InChI=1S/C32H54O4/c1-21(9-8-16-30(2,3)36-29-10-6-7-18-35-29)25-13-14-26-24-12-11-22-19-23(33)20-28(34)32(22,5)27(24)15-17-31(25,26)4/h11,21,23-29,33-34H,6-10,12-20H2,1-5H3/t21-,23-,24+,25-,26+,27+,28+,29?,31-,32+/m1/s1 |
InChIKey | FGCNFKAYEALMPG-ACXLCBIYSA-N |
Mol Weight | 502.8 g/mol |
Molecular Formula | C32H54O4 |
Exact Mass | 502.40221 g/mol |
SpectraBase Spectrum ID | Hm5JbhncV5U |
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Name | Cholest-5-ene-1,3-diol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, (1.alpha.,3.beta.)- |
CAS Registry Number | 75678-07-8 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C32H54O4 |
InChI | InChI=1S/C32H54O4/c1-21(9-8-16-30(2,3)36-29-10-6-7-18-35-29)25-13-14-26-24-12-11-22-19-23(33)20-28(34)32(22,5)27(24)15-17-31(25,26)4/h11,21,23-29,33-34H,6-10,12-20H2,1-5H3/t21-,23-,24+,25-,26+,27+,28+,29?,31-,32+/m1/s1 |
InChIKey | FGCNFKAYEALMPG-ACXLCBIYSA-N |
Molecular Weight | 502.780 g/mol |
SMILES | O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(OC1OCCCC1)(C)C)(C)[H])[H])C)[H])C)(O)[H])[H] |
SPLASH | splash10-000i-9003100000-1cc9da517c9f17ba451d |
Source of Spectrum | H-64-1881-0 |
Synonyms | (1alpha,3beta)-25-(tetrahydro-2H-pyran-2-yloxy)cholest-5-ene-1,3-diol 25-(tetrahydro-2H-pyran-2-yl)oxy-5-cholesten-1.alpha.,3.beta.-diol (1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-(2-oxanyloxy)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol (1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
Wiley ID | 1399324 |