For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E,Z)-5.beta.-pregn-17(20)-ene-3.beta.,15.beta.,21-triol 3-(tetrahydropyran-2'-yl)ether
SpectraBase Compound ID IeptPQLGRN1
InChI InChI=1S/C26H42O4/c1-25-11-8-19(30-23-5-3-4-14-29-23)15-17(25)6-7-20-21(25)9-12-26(2)18(10-13-27)16-22(28)24(20)26/h10,17,19-24,27-28H,3-9,11-16H2,1-2H3/b18-10+/t17?,19-,20?,21?,22+,23?,24?,25?,26?/m0/s1
InChIKey GJTYDYBIHSTQHC-GTZDYUJDSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8dIDEQMLgsB
Name (E,Z)-5.beta.-pregn-17(20)-ene-3.beta.,15.beta.,21-triol 3-(tetrahydropyran-2'-yl)ether
Alternate Name(s) (3beta,15beta,17E)-3-(tetrahydro-2H-pyran-2-yloxy)pregn-17-ene-15,21-diol
CAS Registry Number 99616-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-25-11-8-19(30-23-5-3-4-14-29-23)15-17(25)6-7-20-21(25)9-12-26(2)18(10-13-27)16-22(28)24(20)26/h10,17,19-24,27-28H,3-9,11-16H2,1-2H3/b18-10+/t17?,19-,20?,21?,22+,23?,24?,25?,26?/m0/s1
InChIKey GJTYDYBIHSTQHC-GTZDYUJDSA-N
Molecular Weight 418.618 g/mol
SMILES O[C@]1(C2C(\C(=C\CO)C1)(CCC1C3(C(CCC21)C[C@](CC3)(OC1OCCCC1)[H])C)C)[H]
SPLASH splash10-000i-9000000000-d0294d7a00f5f26841c6
Source of Spectrum KC-1985-1603-19
Wiley ID 1377405