SpectraBase Spectrum ID |
D7iMcUiMkgy |
Name |
PREGN-9(11)-EN-3-ONE, 18,20-DIHYDROXY-, CYCLIC 1,2-ETHANEDIYL ACETAL, (5.ALPHA.,20R)- |
CAS Registry Number |
39766-63-7 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
376.261359635 u |
Formula |
C23H36O4 |
InChI |
InChI=1S/C23H36O4/c1-15(25)18-5-6-20-17-4-3-16-13-23(26-11-12-27-23)10-9-21(16,2)19(17)7-8-22(18,20)14-24/h7,15-18,20,24-25H,3-6,8-14H2,1-2H3/t15-,16+,17-,18-,20+,21+,22+/m1/s1 |
InChIKey |
ZDKQBCJUTHIQPH-IGUHIKQPSA-N |
Molecular Weight |
376.537 g/mol |
Nominal Mass |
376 u |
Number of Peaks |
299 |
SMILES |
O[C@@]([C@@]1([C@@]2(CO)CC=C3[C@]4(CCC5(C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])OCCO5)C)[H])(C)[H] |
SPLASH |
splash10-0002-6942000000-1e4775c02414e6405296 |
Source File Reference |
LMCM-94644-356Q |
Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
Synonyms |
(5.ALPHA.,20R)-18,20-DIHYDROXY-PREGN-9(11)-ENE, 3,3-ETHYLENDIOXY-
(1R)-1-[(2'S,7'S,10'S,11'S,14'S,15'R)-15'-(hydroxymethyl)-2'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-1'(17')-en-14'-yl]ethan-1-ol |
Wiley ID |
8_19505 |