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(3S,3'S,8R,9S,10R,13S,14S,17S)-3',10,13-trimethyl-3'-(2,3,4-trimethyl-1-oxidanyl-pentyl)spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
SpectraBase Compound ID F6BhutPwMLA
InChI InChI=1S/C29H48O3/c1-17(2)18(3)19(4)25(31)28(7)29(32-28)15-12-24-22-9-8-20-16-21(30)10-13-26(20,5)23(22)11-14-27(24,29)6/h8,17-19,21-25,30-31H,9-16H2,1-7H3/t18?,19?,21-,22+,23-,24-,25?,26-,27-,28-,29-/m0/s1
InChIKey CIBBJGAKYYGAAG-VWTMSRHDSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30nJdbwKcoo
Name (3S,3'S,8R,9S,10R,13S,14S,17S)-3',10,13-trimethyl-3'-(2,3,4-trimethyl-1-oxidanyl-pentyl)spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-17(2)18(3)19(4)25(31)28(7)29(32-28)15-12-24-22-9-8-20-16-21(30)10-13-26(20,5)23(22)11-14-27(24,29)6/h8,17-19,21-25,30-31H,9-16H2,1-7H3/t18?,19?,21-,22+,23-,24-,25?,26-,27-,28-,29-/m0/s1
InChIKey CIBBJGAKYYGAAG-VWTMSRHDSA-N
Molecular Weight 444.700 g/mol
SMILES OC([C@]1([C@@]2(CC[C@]3([C@@]4(CC=C5[C@](CC[C@@](C5)(O)[H])([C@]4(CC[C@]23C)[H])C)[H])[H])O1)C)C(C(C(C)C)C)C
SPLASH splash10-0a4i-0940100000-b5c27912122bbccd73f7
Source of Spectrum G4-63-117-2
Synonyms (3S,3'S,8R,9S,10R,13S,14S,17S)-3'-(1-hydroxy-2,3,4-trimethyl-pentyl)-3',10,13-trimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol (3S,3'S,8R,9S,10R,13S,14S,17S)-3'-(1-hydroxy-2,3,4-trimethylpentyl)-3',10,13-trimethyl-3-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]ol
Wiley ID 1608229