| SpectraBase Spectrum ID |
D5rWaIlJZhy |
| Name |
PREGNAN-18-OIC ACID, 3,3-[1,2-ETHANEDIYLBIS(OXY)]-20-HYDROXY-, .GAMMA.-LACTONE, (5.ALPHA.,20R)- |
| CAS Registry Number |
26302-63-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-14-17-5-6-19-16-4-3-15-13-22(25-11-12-26-22)10-9-21(15,2)18(16)7-8-23(17,19)20(24)27-14/h14-19H,3-13H2,1-2H3/t14?,15-,16+,17+,18-,19-,21-,23-/m0/s1 |
| InChIKey |
UWFCDRAIQFJVRB-RSKDSHSVSA-N |
| Molecular Weight |
374.521 g/mol |
| Nominal Mass |
374 u |
| Number of Peaks |
274 |
| SMILES |
C12(CC[C@@]3([C@]4(CC[C@@]56[C@](CC[C@]6([C@@]4(CC[C@]3(C2)[H])[H])[H])(C(C)OC5=O)[H])[H])C)OCCO1 |
| SPLASH |
splash10-0002-9600000000-1f270bde62b9e1a5688d |
| Source File Reference |
LMCM-79101-785M |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(5.ALPHA.,20R)-PREGNAN-18-OIC ACID, 3,3-ETHYLENEDIOXY-20-HYDROXY-, GAMMA-LACTONE
(1'R,2'S,5'S,9'R,12'S,13'S,18'S)-6',13'-dimethyl-7'-oxaspiro[1,3-dioxolane-2,16'-pentacyclo[10.8.0.0(2,9).0(5,9).0(13,18)]icosane]-8'-one |
| Wiley ID |
8_19520 |
![PREGNAN-18-OIC ACID, 3,3-[1,2-ETHANEDIYLBIS(OXY)]-20-HYDROXY-, gamma-LACTONE, (5alpha,20R)-](/api/spectrum/D5rWaIlJZhy/structure.png?h=300&w=458 "PREGNAN-18-OIC ACID, 3,3-[1,2-ETHANEDIYLBIS(OXY)]-20-HYDROXY-, gamma-LACTONE, (5alpha,20R)-")
