Chem
J-GLOBAL ID：200907038607960892   Nikkaji number：J1.198.897K

(21β)-6α,16,18α,24-O,28,31-Hexamethyl-20-(methoxycarbonyl)-20-descarboxy-13,14-didehydro-2,25-carbonyl-25-des(formyloxy)-1,2-secochlorothricolide

(21β)-6α,16,18α,24-O,28,31-ヘキサメチル-20-(メトキシカルボニル)-20-デスカルボキシ-13,14-ジデヒドロ-2,25-カルボニル-25-デス(ホルミルオキシ)-1,2-セコクロロトリコリド
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： C36H48O7
Molecular formula furigana： C36-H48-O7
Molecular weight： 592.773
InChI： InChI=1S/C36H48O7/c1-8-23-19-36-31(41-6)28(33(40)43-36)30(38)35(9-2)24(15-16-25-27(35)17-14-22(4)29(25)37)13-11-10-12-21(3)18-34(36,5)20-26(23)32(39)42-7/h10-11,15-16,18,20,22-25,27,29,37H,8-9,12-14,17,19H2,1-7H3/t22-,23-,24+,25-,27+,29-,34-,35+,36+/m0/s1
InChI key： AHNSYCCZNXSTEW-AMBFZPBCSA-N
SMILES： CC[C@H]1C[C@@]23OC(=O)C(=C2OC)C(=O)[C@]2(CC)[C@H](CC=CCC(=C[C@@]3(C)C=C1C(=O)OC)C)C=C[C@@H]1[C@@H](O)[C@@H](C)CC[C@@H]21
Systematic name  (3)：
  • (21β)-6α,16,18α,24-O,28,31-ヘキサメチル-20-(メトキシカルボニル)-20-デスカルボキシ-13,14-ジデヒドロ-2,25-カルボニル-25-デス(ホルミルオキシ)-1,2-セコクロロトリコリド
  • メチル (1S,3S,6S,13R,16S,17S,18S,21R,22R)-3,22-ジエチル-17-ヒドロキシ-27-メトキシ-6,8,18-トリメチル-23,25-ジオキソ-26-オキサペンタシクロ[22.2.1.01,6.013,22.016,21]ヘプタコサ-4,7,10,14,24(27)-ペンタエン-4-カルボキシラート
  • methyl (1S,3S,6S,13R,16S,17S,18S,21R,22R)-3,22-diethyl-17-hydroxy-27-methoxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylate
Other name (1)：
  • (21β)-6α,16,18α,24-O,28,31-Hexamethyl-20-(methoxycarbonyl)-20-descarboxy-13,14-didehydro-2,25-carbonyl-25-des(formyloxy)-1,2-secochlorothricolide
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