Chem
J-GLOBAL ID：200907007163700322   Nikkaji number：J1.198.891A

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

(21β)-6α,16,18α,28,31-ペンタメチル-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： C35H46O7
Molecular formula furigana： C35-H46-O7
Molecular weight： 578.746
InChI： InChI=1S/C35H46O7/c1-7-22-18-35-30(38)27(32(40)42-35)29(37)34(8-2)23(14-15-24-26(34)16-13-21(4)28(24)36)12-10-9-11-20(3)17-33(35,5)19-25(22)31(39)41-6/h9-10,14-15,17,19,21-24,26,28,36,38H,7-8,11-13,16,18H2,1-6H3/t21-,22-,23+,24-,26+,28-,33-,34+,35+/m0/s1
InChI key： NDIDVRUGIXSJBG-FVVHHNAQSA-N
SMILES： CC[C@H]1C[C@@]23OC(=O)C(=C2O)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,28,31-ペンタメチル-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-17,27-ジヒドロキシ-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-17,27-dihydroxy-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,28,31-Pentamethyl-20-(methoxycarbonyl)-20-descarboxy-13,14-didehydro-2,25-carbonyl-25-des(formyloxy)-1,2-secochlorothricolide
Thsaurus map：
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