Chem
J-GLOBAL ID:200907027754219012   Nikkaji number:J813.507J

Leonticin H

レオンチシンH
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: C70H114O36
Molecular formula furigana: C70-H114-O36
Molecular weight: 1531.646
InChI: InChI=1S/C70H114O36/c1-25-38(77)42(81)47(86)60(96-25)103-54-31(20-72)98-57(49(88)44(54)83)95-24-33-40(79)43(82)48(87)62(100-33)106-64(92)70-16-15-65(2,3)17-27(70)26-9-10-35-67(6)13-12-37(66(4,5)34(67)11-14-68(35,7)69(26,8)18-36(70)76)101-59-51(90)53(29(75)23-94-59)102-61-50(89)45(84)55(32(21-73)99-61)104-63-52(91)56(41(80)30(19-71)97-63)105-58-46(85)39(78)28(74)22-93-58/h9,25,27-63,71-91H,10-24H2,1-8H3/t25-,27-,28+,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: LQGCBORDBZDENF-VEDWPSTASA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-[3-O-[4-O-(3-O-β-D-キシロピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラノシル]-α-L-アラビノピラノシルオキシ]-16α-ヒドロキシオレアナ-12-エン-28-酸6-O-(4-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
  • (2S,3R,4S,5S,6R)-6-({[(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,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}オキサン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,5-ジヒドロキシオキサン-2-イル]オキシ}-5-ヒドロキシ-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)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-5-hydroxy-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 (3):
  • レオンチシンH
  • Leonticin H
  • 3β-[3-O-[4-O-(3-O-β-D-Xylopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]-α-L-arabinopyranosyloxy]-16α-hydroxyolean-12-en-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester
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