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3-.beta.-Hydroxy-urs-11-en-28,13-olide
SpectraBase Compound ID HnWnLJz6fQB
InChI InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20?,21-,22+,23-,26+,27-,28+,29+,30-/m1/s1
InChIKey UVBLDLGZDSGCSN-UJNAHWITSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHgaLBxXHCs
Name 3-.beta.-Hydroxy-urs-11-en-28,13-olide
Alternate Name(s) (1S,4S,5R,10S,13S,14R,18R,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0(1,18).0(4,17).0(5,14).0(8,13)]tetracos-15-en-23-one
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Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20?,21-,22+,23-,26+,27-,28+,29+,30-/m1/s1
InChIKey UVBLDLGZDSGCSN-UJNAHWITSA-N
Molecular Weight 454.695 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(C=C[C@@]45[C@]([C@@]3(CCC2C1(C)C)C)(CC[C@@]1([C@]5([C@]([C@@](CC1)(C)[H])(C)[H])[H])C(O4)=O)C)[H])C)[H]
SPLASH splash10-0f6x-0910400000-ca3437ea8ddf5f6d8a90
Source of Spectrum QA-40-89-4
Wiley ID 861609