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RABDOUMBROSANIN;ENT-8,9-SECO-7-ALPHA-HYDROXYKAURA-8(14),16-DIEN-9,15-DIONE
SpectraBase Compound ID AceKXwAgHHe
InChI InChI=1S/C20H28O3/c1-12-13-6-7-17(22)20(4)9-5-8-19(2,3)16(20)11-15(21)14(10-13)18(12)23/h10,13,15-16,21H,1,5-9,11H2,2-4H3/t13-,15-,16-,20-/m1/s1
InChIKey HPCCGLBGTJGBJM-KHTYJDQRSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUoKOGUvdq
Name Rabdoumbrosanin
Alternate Name(s) (2R,4R,9R,13R)-2-hydroxy-5,5,9-trimethyl-14-methylenetricyclo[11.2.1.0(4,9)]hexadec-1(16)-ene-10,15-dione
CAS Registry Number 123941-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12-13-6-7-17(22)20(4)9-5-8-19(2,3)16(20)11-15(21)14(10-13)18(12)23/h10,13,15-16,21H,1,5-9,11H2,2-4H3/t13-,15-,16-,20-/m1/s1
InChIKey HPCCGLBGTJGBJM-KHTYJDQRSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@]1(C=2C(C(=C)[C@@](C2)(CCC([C@]2([C@](C1)(C(CCC2)(C)C)[H])C)=O)[H])=O)[H]
SPLASH splash10-00b9-0900000000-3369ddd3f7e827d07149
Source of Spectrum AT-37-9390-1
Wiley ID 853739