Chem
J-GLOBAL ID：201507047104449011   Nikkaji number：J3.340.921D

(1S,2S,18S,19R,20S,21S,24S,26R,27S,31S,33S)-2,18,33-Trihydroxy-14,20,27,31-tetramethyl-30-methoxy-7,10,15,28-tetraoxo-31,32-epidioxy-3,19-methano-20,18-(1β,2β-cyclopropanediyl)-6,11,16-trioxahexacyclo[21.9.1.02,21.024,26.027,33.029,32]tritriacontane-3,22,29-triene-4-carboxylic acid 4,2-lactone

(1S,2S,5S,7R,8S,12S,16S,17S,34S,35S,37R,38R,41S)-34,41-ジヒドロキシ-11-メトキシ-1,8,12,30-テトラメチル-13,14,18,22,27,32-ヘキサオキサウンデカシクロ[18.17.3.14,8.02,17.05,7.010,15.012,15.017,40.034,38.035,37.016,41]ヘンテトラコンタ-3,10,20(40)-トリエン-9,19,23,26,31-ペンタオン
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： C40H44O14
Molecular formula furigana： C40-H44-O14
Molecular weight： 748.778
InChI： InChI=1S/C40H44O14/c1-16-8-9-49-26(41)6-7-27(42)50-14-18-20-12-24-34(2,22-11-23(22)37(24,46)15-51-31(16)44)25-13-21-17-10-19(17)35(3)29(43)28-30(48-5)36(4)40(28,54-53-36)33(39(21,35)47)38(20,25)52-32(18)45/h13,16-17,19,22-25,33,46-47H,6-12,14-15H2,1-5H3/t16?,17-,19+,22+,23-,24+,25-,33+,34-,35+,36-,37-,38-,39+,40?/m0/s1
InChI key： MMGWKEKHUVYZSZ-CWMRDCOWSA-N
SMILES： COC1=C2C(=O)[C@@]3(C)[C@@H]4C[C@@H]4C4=C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]7(O)COC(=O)C(C)CCOC(=O)CCC(=O)OCC8=C(C[C@H]67)[C@@]5(OC8=O)[C@@H](C52OO[C@@]15C)[C@@]34O
Systematic name  (3)：
  • (1S,2S,18S,19R,20S,21S,24S,26R,27S,31S,33S)-2,18,33-トリヒドロキシ-14,20,27,31-テトラメチル-30-メトキシ-7,10,15,28-テトラオキソ-31,32-エピジオキシ-3,19-メタノ-20,18-(1β,2β-シクロプロパンジイル)-6,11,16-トリオキサヘキサシクロ[21.9.1.02,21.024,26.027,33.029,32]トリトリアコンタン-3,22,29-トリエン-4-カルボン酸4,2-ラクトン
  • (1S,2S,5S,7R,8S,12S,16S,17S,34S,35S,37R,38R,41S)-34,41-ジヒドロキシ-11-メトキシ-1,8,12,30-テトラメチル-13,14,18,22,27,32-ヘキサオキサウンデカシクロ[18.17.3.14,8.02,17.05,7.010,15.012,15.017,40.034,38.035,37.016,41]ヘンテトラコンタ-3,10,20(40)-トリエン-9,19,23,26,31-ペンタオン
  • (1S,2S,5S,7R,8S,12S,16S,17S,34S,35S,37R,38R,41S)-34,41-dihydroxy-11-methoxy-1,8,12,30-tetramethyl-13,14,18,22,27,32-hexaoxaundecacyclo[18.17.3.14,8.02,17.05,7.010,15.012,15.017,40.034,38.035,37.016,41]hentetraconta-3,10,20(40)-triene-9,19,23,26,31-pentone
Other name (1)：
  • (1S,2S,18S,19R,20S,21S,24S,26R,27S,31S,33S)-2,18,33-Trihydroxy-14,20,27,31-tetramethyl-30-methoxy-7,10,15,28-tetraoxo-31,32-epidioxy-3,19-methano-20,18-(1β,2β-cyclopropanediyl)-6,11,16-trioxahexacyclo[21.9.1.02,21.024,26.027,33.029,32]tritriacontane-3,22,29-triene-4-carboxylic acid 4,2-lactone
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