Chem
J-GLOBAL ID:200907003413169363   Nikkaji number:J2.194.132H

(5aβ,6aβ,12aα)-2-Oxo-1α,4α-methano-4aα-methoxy-6α,7α-(epoxymethano)-8α,10α-bis[2-(trimethylsilyl)ethoxymethoxy]-10aβ,11β-(methanoxymethano)-11aβ-methylhexadecahydro-1H-benzo[b]xanthene-7β-carboxylic acid methyl ester

(5aβ,6aβ,12aα)-2-オキソ-1α,4α-メタノ-4aα-メトキシ-6α,7α-(エポキシメタノ)-8α,10α-ビス[2-(トリメチルシリル)エトキシメトキシ]-10aβ,11β-(メタノキシメタノ)-11aβ-メチルヘキサデカヒドロ-1H-ベンゾ[b]キサンテン-7β-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: C37H62O11Si2
Molecular formula furigana: C37-H62-O11-SI2
Molecular weight: 739.062
InChI: InChI=1S/C37H62O11Si2/c1-34-17-25-24-14-23(15-26(24)38)37(25,41-3)48-32(34)30-31-35(19-44-18-27(34)35)28(46-21-42-10-12-49(4,5)6)16-29(36(31,20-45-30)33(39)40-2)47-22-43-11-13-50(7,8)9/h23-25,27-32H,10-22H2,1-9H3/t23-,24-,25-,27-,28-,29+,30+,31-,32+,34-,35-,36-,37+/m0/s1
InChI key: MHDRZHKLNJHGOH-YVAZGDQBSA-N
SMILES: COC(=O)[C@]12CO[C@@H]3[C@H]1[C@]1(COC[C@H]1[C@]1(C)C[C@H]4[C@@H]5C[C@@H](CC5=O)[C@@]4(OC)O[C@H]31)[C@H](C[C@H]2OCOCC[Si](C)(C)C)OCOCC[Si](C)(C)C
Systematic name  (3):
  • (5aβ,6aβ,12aα)-2-オキソ-1α,4α-メタノ-4aα-メトキシ-6α,7α-(エポキシメタノ)-8α,10α-ビス[2-(トリメチルシリル)エトキシメトキシ]-10aβ,11β-(メタノキシメタノ)-11aβ-メチルヘキサデカヒドロ-1H-ベンゾ[b]キサンテン-7β-カルボン酸メチル
  • メチル (1R,5S,6S,8S,9S,12S,13R,15S,16R,19S,20R,22S,23S)-13-メトキシ-6-メチル-10-オキソ-20,22-ビス({[2-(トリメチルシリル)エトキシ]メトキシ})-3,14,17-トリオキサヘプタシクロ[14.6.1.19,12.01,5.06,15.08,13.019,23]テトラコサン-19-カルボキシラート
  • methyl (1R,5S,6S,8S,9S,12S,13R,15S,16R,19S,20R,22S,23S)-13-methoxy-6-methyl-10-oxo-20,22-bis({[2-(trimethylsilyl)ethoxy]methoxy})-3,14,17-trioxaheptacyclo[14.6.1.19,12.01,5.06,15.08,13.019,23]tetracosane-19-carboxylate
Other name (1):
  • (5aβ,6aβ,12aα)-2-Oxo-1α,4α-methano-4aα-methoxy-6α,7α-(epoxymethano)-8α,10α-bis[2-(trimethylsilyl)ethoxymethoxy]-10aβ,11β-(methanoxymethano)-11aβ-methylhexadecahydro-1H-benzo[b]xanthene-7β-carboxylic acid methyl ester
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