Chem
J-GLOBAL ID：200907014824474460   Nikkaji number：J74.574J

Divostroside

ジボストロシド
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： C30H46O8
Molecular formula furigana： C30-H46-O8
Molecular weight： 534.690
InChI： InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27+,28-,29+,30-/m0/s1
InChI key： LEORFFVSVUWAEY-KKFKOBSISA-N
SMILES： CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@H]1O
Systematic name  (3)：
  • 3β-[[3-O-メチル-2,6-ジデオキシ-α-L-lyxo-ヘキソピラノシル]オキシ]-11α,14-ジヒドロキシ-5β-カルダ-20(22)-エノリド
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,10R,11aR)-3a,10-ジヒドロキシ-7-{[(2R,4S,5R,6S)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,10R,11aR)-3a,10-dihydroxy-7-{[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (3)：
  • Divostroside
  • ジボストロシド
  • 3β-[[3-O-Methyl-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy]-11α,14-dihydroxy-5β-card-20(22)-enolide
CAS registry number： 76704-78-4
Regulation number (1)：
  • FH4920611
KEGG COMPOUND： C08864
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