Chem
J-GLOBAL ID:200907048954744860   Nikkaji number:J2.513.821J

(2S)-2-Hydroxy-7α-[α-(5-hexynyloxycarbonyl)benzyloxy]-8-methyl-11-methylene-12-oxo-2α,9aα-ethano-4bβ,8β-(epoxymethano)-1,2,3,4,4a,4b,7,8,8a,9a-decahydro-9H-fluorene-9α-carboxylic acid methyl ester

(2S)-2-ヒドロキシ-7α-[α-(5-ヘキシニルオキシカルボニル)ベンジルオキシ]-8-メチル-11-メチレン-12-オキソ-2α,9aα-エタノ-4bβ,8β-(エポキシメタノ)-1,2,3,4,4a,4b,7,8,8a,9a-デカヒドロ-9H-フルオレン-9α-カルボン酸メチル
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: C34H38O8
Molecular formula furigana: C34-H38-O8
Molecular weight: 574.670
InChI: InChI=1S/C34H38O8/c1-5-6-7-11-18-40-29(36)26(22-12-9-8-10-13-22)41-24-15-17-34-23-14-16-33(38)20-32(23,19-21(33)2)25(28(35)39-4)27(34)31(24,3)30(37)42-34/h1,8-10,12-13,15,17,23-27,38H,2,6-7,11,14,16,18-20H2,3-4H3/t23?,24-,25+,26?,27?,31+,32-,33-,34+/m0/s1
InChI key: NTAHNCJOZDRMOD-BLYPLAMISA-N
SMILES: COC(=O)[C@H]1C2[C@@]3(C)[C@@H](OC(C(=O)OCCCCC#C)c4ccccc4)C=C[C@@]2(OC3=O)C2CC[C@]3(O)C[C@]12CC3=C
Systematic name  (3):
  • (2S)-2-ヒドロキシ-7α-[α-(5-ヘキシニルオキシカルボニル)ベンジルオキシ]-8-メチル-11-メチレン-12-オキソ-2α,9aα-エタノ-4bβ,8β-(エポキシメタノ)-1,2,3,4,4a,4b,7,8,8a,9a-デカヒドロ-9H-フルオレン-9α-カルボン酸メチル
  • メチル (1R,5S,8S,9S,11S,12S)-12-[2-(ヘキサ-5-イン-1-イルオキシ)-2-オキソ-1-フェニルエトキシ]-5-ヒドロキシ-11-メチル-6-メチリデン-16-オキソ-15-オキサペンタシクロ[9.3.2.15,8.01,10.02,8]ヘプタデカ-13-エン-9-カルボキシラート
  • methyl (1R,5S,8S,9S,11S,12S)-12-[2-(hex-5-yn-1-yloxy)-2-oxo-1-phenylethoxy]-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
Other name (1):
  • (2S)-2-Hydroxy-7α-[α-(5-hexynyloxycarbonyl)benzyloxy]-8-methyl-11-methylene-12-oxo-2α,9aα-ethano-4bβ,8β-(epoxymethano)-1,2,3,4,4a,4b,7,8,8a,9a-decahydro-9H-fluorene-9α-carboxylic acid methyl ester
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