Chem
J-GLOBAL ID:200907077989017546
Nikkaji number:J185.685E
Stearylglycyrrhetinate
グリシルレチン酸ステアリル
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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:
C48 H82 O4
Molecular formula furigana:
C48-H82-O4
Molecular weight:
723.180
InChI:
InChI=1S/C48H82O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-52-42(51)45(5)30-29-44(4)31-32-47(7)36(37(44)35-45)34-38(49)41-46(6)27-26-40(50)43(2,3)39(46)25-28-48(41,47)8/h34,37,39-41,50H,9-33,35H2,1-8H3/t37-,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1
InChI key:
WNIFXKPDILJURQ-JKPOUOEOSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name (4):
(20S)-3β-ヒドロキシ-11-オキソ-5α-オレアナ-12-エン-29-酸オクタデシル
3β-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸オクタデシル
オクタデシル (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-ヒドロキシ-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボキシラート
octadecyl (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
Other name (7):
CAS registry number:
13832-70-7
Regulation number (1):
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