ACCESSION: MSBNK-RIKEN_NPDepo-CB000397
RECORD_TITLE: 20-Hydroxyecdysone 20,22-acetonide; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: The sterols, Cholestanes
CH$NAME: 20-Hydroxyecdysone 20,22-acetonide
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C30H48O7
CH$EXACT_MASS: 520.7129
CH$SMILES: CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
CH$IUPAC: InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27+,28+,29+,30+/m0/s1
CH$LINK: CAS
22798-96-5
CH$LINK: CHEMSPIDER
9235547
CH$LINK: INCHIKEY
GXNNYSDWRVKVJY-VUYJMULXSA-N
CH$LINK: PUBCHEM
CID:11060391
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-1000390000-290371a42323f608ca67
PK$NUM_PEAK: 235
PK$PEAK: m/z int. rel.int.
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