Chem
J-GLOBAL ID：200907004594496219   Nikkaji number：J780.860G

Spirolide B

スピロリドB
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： C42H63NO7
Molecular formula furigana： C42-H63-N-O7
Molecular weight： 693.966
InChI： InChI=1S/C42H63NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20,26,28-29,31,33-36,44,46H,1,8-19,21-24H2,2-7H3
InChI key： OAUJUGKOYSWZJH-UHFFFAOYSA-N
SMILES： CC1CC23CCC4(O2)OC(CCC4(C)O)CC(=C)CCCC2=NCC(C)CCC42CCC(=C(C)C4C=C(C)C(O)CC1O3)C1CC(C)C(=O)O1
Systematic name  (3)：
  • 2,8,21,24-テトラメチル-13-メチレン-18,17,17-[(3-メチルブタン-1,4-ジイル)ニトリロ]-25-[(4-メチル-5-オキソテトラヒドロフラン)-2-イル]-1,4:4,7:7,11-トリエポキシ-19,18-[1]ブテノシクロトリコサ-20-エン-8,22-ジオール
  • 5-{9,32-ジヒドロキシ-6,10,13,20,32-ペンタメチル-27-メチリデン-33,34,35-トリオキサ-22-アザヘキサシクロ[27.3.1.11,4.14,7.012,17.017,23]ペンタトリアコンタ-10,13,22-トリエン-14-イル}-3-メチルオキソラン-2-オン
  • 5-{9,32-dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one
Other name (3)：
  • スピロリドB
  • Spirolide B
  • 2,8,21,24-Tetramethyl-13-methylene-18,17,17-[(3-methylbutane-1,4-diyl)nitrilo]-25-[(4-methyl-5-oxotetrahydrofuran)-2-yl]-1,4:4,7:7,11-triepoxy-19,18-[1]butenocyclotricosa-20-ene-8,22-diol
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