ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003664
RECORD_TITLE: 3BETA-ACETOXY-9ALPHA,11ALPHA-EPOXY-5ALPHA-LANOST-7-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3BETA-ACETOXY-9ALPHA,11ALPHA-EPOXY-5ALPHA-LANOST-7-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H52O3
CH$EXACT_MASS: 484.39165
CH$SMILES: C(C5)C(C(C)(C(C([H])(C)CCCC(C)C)5[H])4)(C)C(C(O3)2C3C4)=CCC([H])(C21C)C(C)(C)C(OC(C)=O)CC1
CH$IUPAC: InChI=1S/C32H52O3/c1-20(2)11-10-12-21(3)23-15-17-29(7)25-14-13-24-28(5,6)26(34-22(4)33)16-18-30(24,8)32(25)27(35-32)19-31(23,29)9/h14,20-21,23-24,26-27H,10-13,15-19H2,1-9H3/t21-,23+,24-,26-,27+,29-,30-,31+,32-/m0/s1
CH$LINK: INCHIKEY WBVPTPVVVFOMLB-RFVVZGPLSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-053r-0002900000-8c5edd55314ebc46143a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  206 10 100
  221 10 100
  303 20 200
  343 5 50
  344 5 50
  371 30 300
  455 80 800
  456 0.3 3
  469 15 150
  484 99.99 999
  485 35 350
//
