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Corosolic acid
SpectraBase Compound ID BYZfYSE4Guq
InChI InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey HFGSQOYIOKBQOW-AMWIWRBCSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cA9g5qe9xn
Name Corosolic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey HFGSQOYIOKBQOW-AMWIWRBCSA-N
Molecular Weight 472.710 g/mol
SMILES O[C@@]1(C(C2[C@](C[C@]1(O)[H])([C@@]1([C@@](CC2)([C@]2(C(=CC1)[C@]1([C@@](CC2)(CC[C@]([C@@]1(C)[H])(C)[H])C(O)=O)[H])C)C)[H])C)(C)C)[H]
SPLASH splash10-0002-0190000000-c37c4fdc03be2a2894d4
Source of Spectrum QA-52-1278-3
Synonyms (1S,2R,4aS,6aS,6bR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
Wiley ID 1800115