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3,4-SECO-19(10-9)-ABEO-8-ALPHA,9-BETA,10-ALPHA-EUPHA-4,24-DIEN-3-OL-3-ACETATE-(20R);ISOHELIANOLACATATE
SpectraBase Compound ID 6RArLJUsYhd
InChI InChI=1S/C32H54O2/c1-22(2)12-10-13-24(5)27-17-18-32(9)29-16-15-26(23(3)4)28(14-11-21-34-25(6)33)30(29,7)19-20-31(27,32)8/h12,24,27-29H,10-11,13-21H2,1-9H3/t24-,27+,28-,29+,30+,31+,32-/m1/s1
InChIKey FXXCHJHHOYCYGY-WIZFRBBASA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H54O2
Exact Mass 470.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f89oePpC9I
Name Helianyl [3,4-seco-19(10-9)abeo-8.alpha.,9.beta.,10.alpha.-Eupha-4,24-dien-3-yl] Acetate
Alternate Name(s) Acetic acid 3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl ester 3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl acetate 3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1R)-1,5-dimethylhex-4-enyl]-7-isopropylidene-3a,5a,9b-trimethyl-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl acetate 3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl ethanoate
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Formula C32H54O2
InChI InChI=1S/C32H54O2/c1-22(2)12-10-13-24(5)27-17-18-32(9)29-16-15-26(23(3)4)28(14-11-21-34-25(6)33)30(29,7)19-20-31(27,32)8/h12,24,27-29H,10-11,13-21H2,1-9H3/t24-,27+,28-,29+,30+,31+,32-/m1/s1
InChIKey FXXCHJHHOYCYGY-WIZFRBBASA-N
Molecular Weight 470.782 g/mol
SMILES [C@@]12([C@]([C@@]([C@@](CCC=C(C)C)(C)[H])([H])CC2)(CC[C@@]2([C@@]1(CCC(=C(C)C)[C@]2(CCCOC(=O)C)[H])[H])C)C)C
SPLASH splash10-014i-9430100000-584be8c7f4d2b48d0d62
Source of Spectrum E1-44-1257-2
Wiley ID 1553492