Chem
J-GLOBAL ID：200907050178219194
Nikkaji number：J1.004.952K
Carotropursenyl acetate B
カロトロプルセニルアセタートB
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： C32H50O2
Molecular formula furigana： C32-H50-O2
Molecular weight： 466.750
InChI：
InChI=1S/C32H50O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,21,24-27H,1,11-19H2,2-9H3/t21-,24-,25+,26+,27+,29+,30-,31+,32+/m0/s1
InChI key：
ZZSQAEGEPHRPKG-CBJLJEGPSA-N
SMILES：
C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
Systematic name (3)：
- 酢酸(18α)-ウルサ-12,20(30)-ジエン-3α-イル
- (3R,4aR,6aR,6bS,8aR,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-ヘプタメチル-11-メチリデン-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル アセタート
- (3R,4aR,6aR,6bS,8aR,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
- Acetic acid (18α)-urs-12,20(30)-diene-3α-yl ester
- カロトロプルセニルアセタートB
- Carotropursenyl acetate B
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