SpectraBase Spectrum ID |
7WKjivUJWAm |
Name |
Pregn-5-ene-3,8,11,12,14,20-hexol |
Alternate Name(s) |
14.beta.-Pregn-5-ene-3.beta.,8,11.alpha.,12.beta.,14,20-hexol
17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,8,11,12,14-pentol
Marsectohexol |
CAS Registry Number |
27642-30-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H34O6 |
InChI |
InChI=1S/C21H34O6/c1-11(22)14-6-9-21(27)19(14,3)17(25)15(24)16-18(2)7-5-13(23)10-12(18)4-8-20(16,21)26/h4,11,13-17,22-27H,5-10H2,1-3H3 |
InChIKey |
ZKHPKHVTGSOEKJ-UHFFFAOYSA-N |
Molecular Weight |
382.497 g/mol |
SMILES |
OC12C3(C(C(C(C2C2(C)C(=CC1)CC(CC2)O)O)O)(C(CC3)C(C)O)C)O |
SPLASH |
splash10-05fr-5920000000-282546b11ce51e9c8d69 |
Source of Spectrum |
H-55-1236-11 |
Wiley ID |
1360565 |