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
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: 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
Other name (3):
  • 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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