Chem
J-GLOBAL ID：200907014075160306   Nikkaji number：J2.098.086I

3β-[2-O-[3-O-[4-O-[4-O-(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]-β-D-ribopyranosyl]-α-L-rhamnopyranosyl]-α-L-arabinopyranosyloxy]oleana-12-ene-28-oic acid β-D-glucopyranosyl ester

3β-[2-O-[3-O-[4-O-[4-O-(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシル]-β-D-リボピラノシル]-α-L-ラムノピラノシル]-α-L-アラビノピラノシルオキシ]オレアナ-12-エン-28-酸β-D-グルコピラノシル
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： C70H114O34
Molecular formula furigana： C70-H114-O34
Molecular weight： 1499.648
InChI： InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)57(94-26)92-24-33-42(78)46(82)50(86)60(99-33)101-54-32(22-72)97-59(52(88)47(54)83)98-34-25-93-58(48(84)43(34)79)102-55-39(75)27(2)95-62(53(55)89)103-56-40(76)30(73)23-91-63(56)100-37-13-14-67(7)35(66(37,5)6)12-15-69(9)36(67)11-10-28-29-20-65(3,4)16-18-70(29,19-17-68(28,69)8)64(90)104-61-51(87)45(81)41(77)31(21-71)96-61/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26-,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1
InChI key： NDIXAAULNPNDPA-AQQAMTNWSA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[2-O-[3-O-[4-O-[4-O-(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシル]-β-D-リボピラノシル]-α-L-ラムノピラノシル]-α-L-アラビノピラノシルオキシ]オレアナ-12-エン-28-酸β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-5-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-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-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシオキサン-2-イル]オキシ}-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル]オキシ}-2,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (1)：
  • 3β-[2-O-[3-O-[4-O-[4-O-(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]-β-D-ribopyranosyl]-α-L-rhamnopyranosyl]-α-L-arabinopyranosyloxy]oleana-12-ene-28-oic acid β-D-glucopyranosyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM