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URS-12-ENE-3.alpha.,24-DIOL
SpectraBase Compound ID LQVILi7sQAZ
InChI InChI=1S/C30H50O2/c1-19-10-13-26(3)16-17-29(6)21(25(26)20(19)2)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23-,24-,25+,26-,27+,28?,29-,30-/m1/s1
InChIKey OWRQLFZZRDBJKV-SRPCIWLRSA-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 8wSmsvtKkYI
Name URS-12-ENE-3.alpha.,24-DIOL
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19-10-13-26(3)16-17-29(6)21(25(26)20(19)2)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23-,24-,25+,26-,27+,28?,29-,30-/m1/s1
InChIKey OWRQLFZZRDBJKV-SRPCIWLRSA-N
Molecular Weight 442.728 g/mol
SMILES O[C@@]1(CC[C@]2(C(C1(CO)C)CC[C@]1([C@]3(C(=CC[C@]21[H])[C@]1([C@@](CC3)(CC[C@]([C@@]1(C)[H])(C)[H])C)[H])C)C)C)[H]
SPLASH splash10-014i-0090000000-95482434581616c72979
Source of Spectrum D8-329-55-8
Synonyms 3.alpha.,24-Dihydroxy-ursa-12-ene (3alpha,9alpha)-urs-12-ene-3,23-diol (3R,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Wiley ID 1516074