Chem
J-GLOBAL ID：200907025628180140   Nikkaji number：J1.900.432E

Rubianoside I

ルビアノシドI
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： C38H60O10
Molecular formula furigana： C38-H60-O10
Molecular weight： 676.888
InChI： InChI=1S/C38H60O10/c1-18(2)21-13-23-31-37(8)10-9-20-27(36(37,7)11-12-38(21,31)17-45-23)22(41)14-26-34(4,5)32(24(46-19(3)40)15-35(20,26)6)48-33-30(44)29(43)28(42)25(16-39)47-33/h9,18,21-33,39,41-44H,10-17H2,1-8H3/t21-,22-,23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,35+,36-,37+,38+/m0/s1
InChI key： NCVHJBCXBZFWRS-BGKZYWRXSA-N
SMILES： CC(C)[C@@H]1C[C@@H]2OC[C@@]31CC[C@@]1(C)[C@@H]4[C@@H](O)C[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](C[C@]5(C)C4=CC[C@]1(C)[C@@H]23)OC(=O)C
Systematic name  (3)：
  • 3β-(β-D-グルコピラノシルオキシ)-19β,28-エポキシ-5α-アルボラ-9(11)-エン-2α,7β-ジオール2-アセタート
  • (1R,4S,5S,6S,8R,10R,11R,13S,17R,18R,19S,22S)-6-ヒドロキシ-4,9,9,13,17-ペンタメチル-22-(プロパン-2-イル)-10-{[(2R,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}-20-オキサヘキサシクロ[17.2.2.01,18.04,17.05,14.08,13]トリコサ-14-エン-11-イル アセタート
  • (1R,4S,5S,6S,8R,10R,11R,13S,17R,18R,19S,22S)-6-hydroxy-4,9,9,13,17-pentamethyl-22-(propan-2-yl)-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl acetate
Other name (3)：
  • 3β-(β-D-Glucopyranosyloxy)-19β,28-epoxy-5α-arbor-9(11)-ene-2α,7β-diol 2-acetate
  • ルビアノシドI
  • Rubianoside I
Thsaurus map：
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