Chem
J-GLOBAL ID：200907073929370527   Nikkaji number：J2.767.435F

Cyclofoetoside B

シクロフェトシドB
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： C47H80O18
Molecular formula furigana： C47-H80-O18
Molecular weight： 933.139
InChI： InChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1
InChI key： JDYWIMCSAUNOHC-VVQWPGQESA-N
SMILES： C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@H](C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@]4(C)CO)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(24S)-3β-(α-L-アラビノピラノシルオキシ)-24,25,29-トリヒドロキシ-9,19-シクロ-5α-ラノスタン-16β-イル]6-O-α-L-ラムノピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-ジヒドロキシ-6-メチルヘプタン-2-イル]-7-(ヒドロキシメチル)-7,12,16-トリメチル-6-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}ペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-14-イル]オキシ}-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • [(24S)-3β-(α-L-Arabinopyranosyloxy)-24,25,29-trihydroxy-9,19-cyclo-5α-lanostane-16β-yl]6-O-α-L-rhamnopyranosyl-β-D-glucopyranoside
  • Cyclofoetoside B
  • シクロフェトシドB
CAS registry number： 108333-83-1
KEGG COMPOUND： C08939
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