Chem
J-GLOBAL ID：200907009953810139   Nikkaji number：J1.538.047K

Officinoside C

オフィシノシドC
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： C27H46O11
Molecular formula furigana： C27-H46-O11
Molecular weight： 546.654
InChI： InChI=1S/C27H46O11/c1-12-15-10-14(26(3,4)38-25-23(34)20(31)18(29)13(2)35-25)6-8-27(15,5)9-7-16(12)36-24-22(33)21(32)19(30)17(11-28)37-24/h13-25,28-34H,1,6-11H2,2-5H3/t13-,14-,15?,16+,17-,18+,19-,20+,21+,22-,23-,24-,25+,27+/m1/s1
InChI key： OFIPMYQXNOJVMT-JVNRHACFSA-N
SMILES： C[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C)C3C2)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • [(2S)-1-メチレン-4aβ-メチル-7β-[1-メチル-1-(β-D-フコピラノシルオキシ)エチル]デカリン-2β-イル]β-D-グルコピラノシド
  • (2S,3R,4S,5R,6R)-2-({2-[(2R,4aS,7S)-4a-メチル-8-メチリデン-7-{[(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}-デカヒドロナフタレン-2-イル]プロパン-2-イル}オキシ)-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4S,5R,6R)-2-({2-[(2R,4aS,7S)-4a-methyl-8-methylidene-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-2-yl]propan-2-yl}oxy)-6-methyloxane-3,4,5-triol
Other name (3)：
  • [(2S)-1-Methylene-4aβ-methyl-7β-[1-methyl-1-(β-D-fucopyranosyloxy)ethyl]decalin-2β-yl]β-D-glucopyranoside
  • オフィシノシドC
  • Officinoside C
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM