Chem
J-GLOBAL ID：200907032793852540   Nikkaji number：J491.112A

2-Deoxybrassinolide

2-デオキシブラッシノリド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H48O5
Molecular formula furigana： C28-H48-O5
Molecular weight： 464.687
InChI： InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
InChI key： LLFIMDUWAVPJEJ-AVWWTISCSA-N
SMILES： CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,23R,24S)-3α,22,23-トリヒドロキシ-7-オキサ-B-ホモ-5α-エルゴスタン-6-オン
  • (1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-ジヒドロキシ-5,6-ジメチルヘプタン-2-イル]-5-ヒドロキシ-2,16-ジメチル-9-オキサテトラシクロ[9.7.0.02,7.012,16]オクタデカン-8-オン
  • (1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Other name (3)：
  • (22R,23R,24S)-3α,22,23-Trihydroxy-7-oxa-B-homo-5α-ergostan-6-one
  • 2-デオキシブラッシノリド
  • 2-Deoxybrassinolide
KEGG COMPOUND： C17735
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