Chem
J-GLOBAL ID:200907001814554631
Nikkaji number:J126.661F
Phillyrigenin
フィリリゲニン
Download MOL file
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 H48 O4
Molecular formula furigana:
C30-H48-O4
Molecular weight:
472.710
InChI:
InChI=1S/C30H48O4/c1-18-23-19-7-8-21-26(4)11-10-22(32)25(2,3)20(26)9-12-27(21,5)30(19,17-31)16-15-29(23)14-13-28(18,6)34-24(29)33/h18-23,31-32H,7-17H2,1-6H3/t18-,19+,20-,21+,22-,23+,26-,27+,28-,29-,30-/m0/s1
InChI key:
OKYPZXYLZZJAMB-XMRCLCBRSA-N
SMILES:
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(CO)CC[C@]32CC[C@]1(C)OC3=O
Systematic name (3):
(18α,19α)-3β,20,27-トリヒドロキシウルサ-28-酸δ-ラクトン
(1R,4S,5R,8R,10S,13R,14R,17R,18S,19S,20S)-10-ヒドロキシ-4-(ヒドロキシメチル)-5,9,9,13,19,20-ヘキサメチル-21-オキサヘキサシクロ[18.2.2.01,18 .04,17 .05,14 .08,13 ]テトラコサン-22-オン
(1R,4S,5R,8R,10S,13R,14R,17R,18S,19S,20S)-10-hydroxy-4-(hydroxymethyl)-5,9,9,13,19,20-hexamethyl-21-oxahexacyclo[18.2.2.01,18 .04,17 .05,14 .08,13 ]tetracosan-22-one
Other name (3):
Phillyrigenin
フィリリゲニン
(18α,19α)-3β,20,27-Trihydroxyurs-28-oic acid δ-lactone
CAS registry number:
4184-19-4
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