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D:C-FRIEDO-MADEIR-7-EN-3-BETA-OL;ISOMADEIRANOL
SpectraBase Compound ID FXIZ9nAXbzS
InChI InChI=1S/C30H50O/c1-19(2)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23-25,31H,10-18H2,1-8H3/t20-,21-,23-,24-,25-,27+,28+,29-,30+/m0/s1
InChIKey BGKLCRBIOLDQKG-RBAFDLFLSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTnBafHQeHY
Name D:C-Friedomadeir-7-en-3beta-ol
Alternate Name(s) (1S,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bR)-3a-isopropyl-1,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19(2)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23-25,31H,10-18H2,1-8H3/t20-,21-,23-,24-,25-,27+,28+,29-,30+/m0/s1
InChIKey BGKLCRBIOLDQKG-RBAFDLFLSA-N
Literature Reference DOI 10.1002/hlca.19910740622
Molecular Weight 426.729 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3(C(=CC[C@@]2([H])C1(C)C)[C@]1(CC[C@@]2([C@]([C@]1(C)CC3)([C@](CC2)(C)[H])[H])C(C)C)C)[H])C)[H]
SPLASH splash10-052f-9650100000-a9ea9e390f2ed432d8cb
Source of Spectrum H-74-1337-2b
Wiley ID 1789302