Chem
J-GLOBAL ID:200907092715797200   Nikkaji number:J780.586A

Camelliasaponin C2

カメリアサポニンC2
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: C58H92O26
Molecular formula furigana: C58-H92-O26
Molecular weight: 1205.348
InChI: InChI=1S/C58H92O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,26-46,49-52,59-72H,11-23H2,1-8H3,(H,73,74)/b24-9+/t26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,49-,50-,51-,52+,54-,55-,56+,57+,58-/m0/s1
InChI key: KRGSIOSNSSCAMH-QPAGQQEASA-N
SMILES: C/C=C(\C)/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO
Systematic name  (5):
  • 3β-[2-O-β-D-ガラクトピラノシル-3-O-(2-O-β-D-グルコピラノシル-α-L-アラビノピラノシル)-β-D-グルコピラヌロノシルオキシ]オレアナ-12-エン-16α,22α,23,28-テトラオール22-[(E)-2-メチル-2-ブテノアート]
  • (22α-チグロイルオキシ-16α,23,28-トリヒドロキシ-5α-オレアナン-12-エン-3β-イル)-2-O-β-D-ガラクトピラノシル-3-O-(2-O-β-D-グルコピラノシル-α-L-アラビノピラノシル)-β-D-グルコピラノシドウロン酸
  • 22α-(チグロイルオキシ)-16α,23,28-トリヒドロキシ-5α-オレアナン-12-エン-3β-イル2-O-β-D-ガラクトピラノシル-3-O-(2-O-β-D-グルコピラノシル-α-L-アラビノピラノシル)-β-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-ヒドロキシ-4,8a-ビス(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-9-{[(2E)-2-メチルブタ-2-エノイル]オキシ}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-4-{[(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(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]オキシ}オキサン-2-イル]オキシ}-3-ヒドロキシ-5-{[(2S,3R,4S,5R,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]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (5):
  • カメリアサポニンC2
  • Camelliasaponin C2
  • 3β-[2-O-β-D-Galactopyranosyl-3-O-(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)-β-D-glucopyranuronosyloxy]olean-12-ene-16α,22α,23,28-tetrol 22-[(E)-2-methyl-2-butenoate]
  • (22α-Tigloyloxy-16α,23,28-trihydroxy-5α-oleanane-12-ene-3β-yl)-2-O-β-D-galactopyranosyl-3-O-(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)-β-D-glucopyranosiduronic acid
  • 22α-(Tigloyloxy)-16α,23,28-trihydroxy-5α-oleanane-12-ene-3β-yl 2-O-β-D-galactopyranosyl-3-O-(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)-β-D-glucopyranosiduronic acid
CAS registry number: 156317-51-0
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