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2.alpha.-Acetoxy-ursa-5,12-diene-3.beta.,11.alpha.-diol

View entire compound with spectra: 1 MS (GC)

2.alpha.-Acetoxy-ursa-5,12-diene-3.beta.,11.alpha.-diol
SpectraBase Compound ID 2JDI5p3ORCy
InChI InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-31(8)21(25(29)19(18)2)16-22(34)26-30(7)17-23(36-20(3)33)27(35)28(4,5)24(30)11-13-32(26,31)9/h11,16,18-19,22-23,25-27,34-35H,10,12-15,17H2,1-9H3/t18-,19+,22-,23-,25+,26-,27+,29-,30+,31-,32-/m1/s1
InChIKey MLEVHKMQNKPYKX-HTJZOODISA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H50O4
Exact Mass 498.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2veiiihmLqp
Name 2.alpha.-Acetoxy-ursa-5,12-diene-3.beta.,11.alpha.-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O4
InChI InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-31(8)21(25(29)19(18)2)16-22(34)26-30(7)17-23(36-20(3)33)27(35)28(4,5)24(30)11-13-32(26,31)9/h11,16,18-19,22-23,25-27,34-35H,10,12-15,17H2,1-9H3/t18-,19+,22-,23-,25+,26-,27+,29-,30+,31-,32-/m1/s1
InChIKey MLEVHKMQNKPYKX-HTJZOODISA-N
Molecular Weight 498.748 g/mol
SMILES O[C@@]1(C=C2[C@@]3([C@]([C@@](CC[C@@]3(CC[C@]2([C@@]2(CC=C3[C@](C[C@]([C@@](C3(C)C)(O)[H])(OC(=O)C)[H])([C@@]12[H])C)C)C)C)(C)[H])(C)[H])[H])[H]
SPLASH splash10-001i-3331900000-5b6247fe5a2cc1d720ad
Source of Spectrum G4-62-1608-4
Synonyms (2alpha,3beta,9alpha,11alpha)-3,11-dihydroxyursa-5,12-dien-2-yl acetate Acetic acid[(2R,3R,6aR,6bS,8aR,11R,12S,12aR,14R,14aS,14bR)-3,14-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-yl]ester [(2R,3R,6aR,6bS,8aR,11R,12S,12aR,14R,14aS,14bR)-3,14-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-yl]acetate [(2R,3R,6aR,6bS,8aR,11R,12S,12aR,14R,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3,14-bis(oxidanyl)-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-yl]ethanoate [(2R,3R,6aR,6bS,8aR,11R,12S,12aR,14R,14aS,14bR)-3,14-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-yl] acetate [(2R,3R,6aR,6bS,8aR,11R,12S,12aR,14R,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3,14-bis(oxidanyl)-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-yl] ethanoate
Wiley ID 1608159