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Urs-12-en-3-.beta.,11.beta.-diol
SpectraBase Compound ID 2ilROIfkTtJ
InChI InChI=1S/C30H50O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,21-25,31-32H,9-16H2,1-8H3/t18-,19+,21+,22?,23+,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey YBKVUOUSCZYKRB-WFITWCKWSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70Qfz5inTbp
Name Urs-12-en-3-.beta.,11.beta.-diol
Alternate Name(s) (3beta,9alpha,11beta)-urs-12-ene-3,11-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,21-25,31-32H,9-16H2,1-8H3/t18-,19+,21+,22?,23+,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey YBKVUOUSCZYKRB-WFITWCKWSA-N
Molecular Weight 442.728 g/mol
SMILES O[C@@]1([C@@]2([C@]3(CC[C@@](C(C3CC[C@]2([C@]2(C(=C1)[C@]1([C@@](CC2)(CC[C@]([C@@]1(C)[H])(C)[H])C)[H])C)C)(C)C)(O)[H])C)[H])[H]
SPLASH splash10-001l-0070900000-b63d72bbe4e10d0255bb
Source of Spectrum QA-37-189-4
Wiley ID 861115