Chem
J-GLOBAL ID:200907086377820888
Nikkaji number:J2.420.537A
3β-Acetoxylupa-20(29)-ene-30-al
3β-アセトキシルパ-20(29)-エン-30-アール
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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:
C32 H50 O3
Molecular formula furigana:
C32-H50-O3
Molecular weight:
482.749
InChI:
InChI=1S/C32H50O3/c1-20(19-33)22-11-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h19,22-27H,1,9-18H2,2-8H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1
InChI key:
HXYXPRAPFYNNIY-YOJQYFTNSA-N
SMILES:
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(=C)C=O)C1(C)C
Systematic name (5):
3β-アセトキシルパ-20(29)-エン-30-アール
3β-アセトキシルパ-20(30)-エン-29-アール
3β-(アセチルオキシ)ルパ-20(30)-エン-29-アール
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-ヘキサメチル-1-(3-オキソプロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-イル アセタート
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-(3-oxoprop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate
Other name (3):
3β-Acetoxylupa-20(29)-ene-30-al
3β-Acetoxylupa-20(30)-ene-29-al
3β-(Acetyloxy)lupa-20(30)-ene-29-al
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