Chem
J-GLOBAL ID：200907018569431642   Nikkaji number：J2.399.469K

16-Acetoxy-3-(3-O-methyl-6-deoxy-L-mannopyranosyloxy)-14-hydroxycarda-20(22)-enolide

16-アセトキシ-3-(3-O-メチル-6-デオキシ-L-マンノピラノシルオキシ)-14-ヒドロキシカルダ-20(22)-エノリド
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： C32H48O10
Molecular formula furigana： C32-H48-O10
Molecular weight： 592.726
InChI： InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19?,20?,21-,22+,23?,25-,26-,27+,28+,29?,30-,31+,32-/m0/s1
InChI key： UZQOZJNEDXAJEZ-VDUUTPAISA-N
SMILES： CO[C@@H]1[C@@H](O)[C@H](C)OC(OC2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C(C[C@]43O)OC(=O)C)C3=CC(=O)OC3)C2)[C@@H]1O
Systematic name  (3)：
  • 16-アセトキシ-3-(3-O-メチル-6-デオキシ-L-マンノピラノシルオキシ)-14-ヒドロキシカルダ-20(22)-エノリド
  • (1R,3aS,3bR,9aS,9bS,11aR)-7-{[(3R,4R,5S,6S)-3,5-ジヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-3a-ヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-2-イル アセタート
  • (1R,3aS,3bR,9aS,9bS,11aR)-7-{[(3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate
Other name (1)：
  • 16-Acetoxy-3-(3-O-methyl-6-deoxy-L-mannopyranosyloxy)-14-hydroxycarda-20(22)-enolide
Thsaurus map：
Thesaurus Map

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