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1,3-Butanedione, 1-[4b,5,6,7,8,8a,9,10-octahydro-2-methoxy-4b,8,8-trimethyl-1-(1-methylethyl)-3-phenanthrenyl]-, (4bS-trans)-
SpectraBase Compound ID CY7DKsZfobA
InChI InChI=1S/C25H36O3/c1-15(2)22-17-9-10-21-24(4,5)11-8-12-25(21,6)19(17)14-18(23(22)28-7)20(27)13-16(3)26/h14-15,21H,8-13H2,1-7H3/t21-,25+/m0/s1
InChIKey ADWKRGNSVUJNEF-SQJMNOBHSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5tKhYN8g0y
Name 1,3-Butanedione, 1-[4b,5,6,7,8,8a,9,10-octahydro-2-methoxy-4b,8,8-trimethyl-1-(1-methylethyl)-3-phenanthrenyl]-, (4bS-trans)-
CAS Registry Number 129470-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-15(2)22-17-9-10-21-24(4,5)11-8-12-25(21,6)19(17)14-18(23(22)28-7)20(27)13-16(3)26/h14-15,21H,8-13H2,1-7H3/t21-,25+/m0/s1
InChIKey ADWKRGNSVUJNEF-SQJMNOBHSA-N
Molecular Weight 384.560 g/mol
SMILES c12c(c(C(C)C)c(c(c2)C(CC(=O)C)=O)OC)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H]
SPLASH splash10-0udi-0009000000-7a0c447a1f2ca1b681fa
Source of Spectrum B-43-693-10
Synonyms 1-[14-isopropyl-13-methoxypodocarpa-9(11),8(14),12-trien-12-yl]-1,3-butanedione 4-(13-Methoxytotara-8,11,13-trien-12-yl)butane-2,4-dione
Wiley ID 1361862