Chem
J-GLOBAL ID：200907001727956340   Nikkaji number：J1.372.446F

Cimiracemoside F

シミラセモシドF
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： C37H56O11
Molecular formula furigana： C37-H56-O11
Molecular weight： 676.844
InChI： InChI=1S/C37H56O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37+/m0/s1
InChI key： IHMRHYCBRKQAFU-IADXWLTJSA-N
SMILES： C[C@@H]1[C@H]2OC(C)(C)[C@@H](O)[C@]2(O)O[C@H]2C[C@@]3(C)C4=CC[C@@H]5[C@]6(C[C@@]46C[C@@H](OC(=O)C)[C@]3(C)[C@@H]12)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C
Systematic name  (3)：
  • (20S,22R,23S,24R)-12β-アセトキシ-16β,23:22,25-ジエポキシ-3β-(β-D-キシロピラノシルオキシ)-9,19-シクロラノスタ-7-エン-23,24-ジオール
  • (1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-ジヒドロキシ-1,6,6,15,17,20,20-ヘプタメチル-7-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-19,23-ジオキサヘプタシクロ[13.10.0.02,12.05,10.010,12.016,24.018,22]ペンタコサ-2-エン-14-イル アセタート
  • (1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-14-yl acetate
Other name (3)：
  • (20S,22R,23S,24R)-12β-Acetoxy-16β,23:22,25-diepoxy-3β-(β-D-xylopyranosyloxy)-9,19-cyclolanosta-7-ene-23,24-diol
  • シミラセモシドF
  • Cimiracemoside F
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