Chem
J-GLOBAL ID:201207069811096135
Nikkaji number:J3.054.001H
Mesendanin L
メセンダニンL
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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:
C30 H44 O4
Molecular formula furigana:
C30-H44-O4
Molecular weight:
468.678
InChI:
InChI=1S/C30H44O4/c1-26(2,33)14-8-9-18-24-21(34-25(18)32)17-30(7)20-10-11-22-27(3,4)23(31)13-15-28(22,5)19(20)12-16-29(24,30)6/h8,10,14,18-19,21-22,24,33H,9,11-13,15-17H2,1-7H3/t18-,19+,21+,22+,24-,28-,29+,30-/m1/s1
InChI key:
KHBVOZZDQVOKJG-TXTVDMNSSA-N
SMILES:
CC(C)(O)C=CC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
Systematic name (3):
(20R)-3-オキソ-16β,25-ジヒドロキシチルカラ-7,23-ジエン-21-酸21,16-ラクトン
(2S,4S,7R,8S,9S,12R,13R,18R)-7-(4-ヒドロキシ-4-メチルペンタ-2-エン-1-イル)-2,9,13,17,17-ペンタメチル-5-オキサペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサ-1(20)-エン-6,16-ジオン
(2S,4S,7R,8S,9S,12R,13R,18R)-7-(4-hydroxy-4-methylpent-2-en-1-yl)-2,9,13,17,17-pentamethyl-5-oxapentacyclo[10.8.0.02,9 .04,8 .013,18 ]icos-1(20)-ene-6,16-dione
Other name (3):
(20R)-3-Oxo-16β,25-dihydroxytirucalla-7,23-diene-21-oic acid 21,16-lactone
メセンダニンL
Mesendanin L
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