ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003663
RECORD_TITLE: 3BETA-ACETOXY-5ALPHA-LANOST-8-EN-7ALPHA-OL; 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$NAME: 3BETA-ACETOXY-5ALPHA-LANOST-8-EN-7ALPHA-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H54O3
CH$EXACT_MASS: 486.40730
CH$SMILES: C(C(C)41)(C)(CCC4(C(CCCC(C)C)([H])C)[H])C(C2O)=C(C(C3)(C)C(C(C)(C)C(OC(C)=O)C3)([H])C2)CC1
CH$IUPAC: InChI=1S/C32H54O3/c1-20(2)11-10-12-21(3)23-13-18-32(9)28-24(14-17-31(23,32)8)30(7)16-15-27(35-22(4)33)29(5,6)26(30)19-25(28)34/h20-21,23,25-27,34H,10-19H2,1-9H3/t21-,23-,25-,26+,27+,30-,31-,32+/m1/s1
CH$LINK: INCHIKEY UWOQKGAEHGZLFX-WNCKTOKXSA-N
AC$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$SPLASH: splash10-014i-0010900000-70482efa1b9977755efc
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  171 5 50
  196 5 50
  240 5 50
  241 0.3 3
  253 8 80
  312 5 50
  339 5 50
  393 0.15 2
  453 8 80
  454 2 20
  468 99.99 999
  469 0.4 4
  470 5 50
  486 1 10
//
