Chem
J-GLOBAL ID：200907051678347268
Nikkaji number：J2.420.533I
3β-Acetoxy-13,20-dihydroxyurs-11-ene-28-oic acid 28,13-lactone
3β-アセトキシ-13,20-ジヒドロキシウルサ-11-エン-28-酸28,13-ラクトン
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
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
Molecular formula： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI：
InChI=1S/C32H48O5/c1-19-24-31(17-15-29(19,7)35)18-16-30(8)28(6)13-9-21-26(3,4)23(36-20(2)33)11-12-27(21,5)22(28)10-14-32(24,30)37-25(31)34/h10,14,19,21-24,35H,9,11-13,15-18H2,1-8H3/t19-,21+,22-,23+,24-,27+,28-,29+,30+,31+,32+/m1/s1
InChI key：
BIQDGEQSLUCJRA-VEIADLPQSA-N
SMILES：
C[C@@H]1[C@@H]2[C@]3(CC[C@]1(C)O)CC[C@]1(C)[C@]2(OC3=O)C=C[C@@H]2[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]3CC[C@@]12C
Systematic name (3)：
- 3β-アセトキシ-13,20-ジヒドロキシウルサ-11-エン-28-酸28,13-ラクトン
- (1R,4S,5R,8R,10S,13S,14R,17S,18R,19R,20S)-20-ヒドロキシ-4,5,9,9,13,19,20-ヘプタメチル-23-オキソ-24-オキサヘキサシクロ[15.5.2.01,18.04,17.05,14.08,13]テトラコサ-15-エン-10-イル アセタート
- (1R,4S,5R,8R,10S,13S,14R,17S,18R,19R,20S)-20-hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl acetate
- 3β-Acetoxy-13,20-dihydroxyurs-11-ene-28-oic acid 28,13-lactone
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