Chem
J-GLOBAL ID：200907037344785598   Nikkaji number：J2.152.268F

Bellisoside D

ベリソシドD
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： C65H104O29
Molecular formula furigana： C65-H104-O29
Molecular weight： 1349.518
InChI： InChI=1S/C65H104O29/c1-25(84-30(6)67)19-38(71)89-50-29(5)88-58(52(47(50)80)92-56-46(79)43(76)49(28(4)87-56)90-54-48(81)51(34(69)23-83-54)91-55-44(77)41(74)39(72)26(2)85-55)94-59(82)65-18-17-60(7,8)20-32(65)31-13-14-36-61(9)21-33(68)53(93-57-45(78)42(75)40(73)27(3)86-57)62(10,24-66)35(61)15-16-63(36,11)64(31,12)22-37(65)70/h13,25-29,32-37,39-58,66,68-70,72-81H,14-24H2,1-12H3/t25-,26-,27-,28-,29+,32-,33-,34+,35+,36+,37+,39-,40-,41+,42+,43-,44+,45+,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,61-,62-,63+,64+,65+/m0/s1
InChI key： UULZQEDPSBKJGY-OWZILKGHSA-N
SMILES： C[C@@H](CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1O)OC(=O)C
Systematic name  (3)：
  • 2β,16α,23-トリヒドロキシ-3β-(α-L-ラムノピラノシルオキシ)オレアナ-12-エン-28-酸2-O-[4-O-[3-O-(α-L-ラムノピラノシル)-β-D-キシロピラノシル]-α-L-ラムノピラノシル]-4-O-[(3S)-3-アセトキシブタノイル]-β-D-フコピラノシル
  • (2S,3R,4S,5R,6R)-5-{[(3S)-3-(アセチルオキシ)ブタノイル]オキシ}-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-ジヒドロキシ-4-{[(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}-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(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}-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,5R,6R)-5-{[(3S)-3-(acetyloxy)butanoyl]oxy}-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-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)：
  • 2β,16α,23-Trihydroxy-3β-(α-L-rhamnopyranosyloxy)oleana-12-ene-28-oic acid 2-O-[4-O-[3-O-(α-L-rhamnopyranosyl)-β-D-xylopyranosyl]-α-L-rhamnopyranosyl]-4-O-[(3S)-3-acetoxybutanoyl]-β-D-fucopyranosyl ester
  • ベリソシドD
  • Bellisoside D
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