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3.alpha.-Hydroxy-13.alpha.,17.alpha.,21.beta.-Hopan-15,19-dione
SpectraBase Compound ID HOVPmMLhROr
InChI InChI=1S/C30H48O3/c1-17(2)18-15-24(32)29(7)19(18)16-25(33)30(8)22(29)10-9-21-27(5)13-12-23(31)26(3,4)20(27)11-14-28(21,30)6/h17-23,31H,9-16H2,1-8H3/t18-,19+,20-,21+,22-,23+,27-,28+,29-,30-/m0/s1
InChIKey PGHZPXAIUDLCLR-ZQLPATBASA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtfZTaVYhKJ
Name 3.alpha.-Hydroxy-13.alpha.,17.alpha.,21.beta.-Hopan-15,19-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-17(2)18-15-24(32)29(7)19(18)16-25(33)30(8)22(29)10-9-21-27(5)13-12-23(31)26(3,4)20(27)11-14-28(21,30)6/h17-23,31H,9-16H2,1-8H3/t18-,19+,20-,21+,22-,23+,27-,28+,29-,30-/m0/s1
InChIKey PGHZPXAIUDLCLR-ZQLPATBASA-N
Molecular Weight 456.711 g/mol
SMILES O[C@]1(C([C@@]2(CC[C@]3([C@]4([C@]([C@]5(C(C[C@]([C@]5(CC4=O)[H])(C(C)C)[H])=O)C)(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])(C)C)[H]
SPLASH splash10-05n1-4912000000-8687742280704a5c8086
Source of Spectrum OL-17-806-1
Synonyms (3S,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bS)-9-hydroxy-3-isopropyl-5a,5b,8,8,11a,13b-hexamethyloctadecahydro-1H-cyclopenta[a]chrysene-1,5(4H)-dione
Wiley ID 1612036