Chem
J-GLOBAL ID:200907061052488027
Nikkaji number:J39.335E
Asebotoxin I
アセボトキシンI
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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:
C23 H38 O7
Molecular formula furigana:
C23-H38-O7
Molecular weight:
426.550
InChI:
InChI=1S/C23H38O7/c1-6-17(26)30-18-12-7-8-13-21(5,28)14-9-15(24)19(2,3)23(14,29)16(25)10-22(13,18)11-20(12,4)27/h12-16,18,24-25,27-29H,6-11H2,1-5H3/t12-,13+,14+,15+,16-,18-,20-,21-,22+,23+/m1/s1
InChI key:
UVIOAKNWFGGRCJ-IWVSYNHMSA-N
SMILES:
CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O
Systematic name (4):
(14R)-グラヤノトキサン-3β,5,6β,10,14,16-ヘキサオール14-プロパノアート
(14R)-グラヤノトキサン-3β,5,6β,10,14,16-ヘキサオール14-プロピオナート
(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-ペンタヒドロキシ-5,5,9,14-テトラメチルテトラシクロ[11.2.1.01,10 .04,8 ]ヘキサデカン-16-イル プロパノアート
(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10 .04,8 ]hexadecan-16-yl propanoate
Other name (6):
アセボトキシンI
Asebotoxin I
(14R)-Grayanotoxane-3β,5,6β,10,14,16-hexaol 14-propionate
(14R)-Grayanotoxane-3β,5,6β,10,14,16-hexaol 14-propanoate
ピエリスホルモシンB
Pierisformosin B
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CAS registry number:
23984-17-0
Regulation number (1):
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