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Pregn-5-ene-3,8,11,12,14,20-hexol
SpectraBase Compound ID DEphh9XA6R7
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
Mol Weight 382.5 g/mol
Molecular Formula C21H34O6
Exact Mass 382.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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