Chem
J-GLOBAL ID:200907017753158553
Nikkaji number:J16.740A
Asebotoxin II
アセボトキシンII
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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 H36 O6
Molecular formula furigana:
C23-H36-O6
Molecular weight:
408.535
InChI:
InChI=1S/C23H36O6/c1-6-18(26)29-19-14-8-7-13-12(2)15-9-16(24)20(3,4)23(15,28)17(25)10-22(13,19)11-21(14,5)27/h13-17,19,24-25,27-28H,2,6-11H2,1,3-5H3/t13-,14+,15-,16-,17+,19+,21+,22-,23-/m0/s1
InChI key:
VVXZWGWGAMWPOU-GTPZWBMOSA-N
SMILES:
CCC(=O)O[C@@H]1[C@H]2CC[C@H]3C(=C)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]13C[C@@]2(C)O
Systematic name (3):
(14R)-グラヤノトキサ-10(20)-エン-3β,5,6β,14,16-ペンタオール14-プロパノアート
(1S,3R,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-テトラヒドロキシ-5,5,14-トリメチル-9-メチリデンテトラシクロ[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,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10 .04,8 ]hexadecan-16-yl propanoate
Other name (3):
アセボトキシンII
Asebotoxin II
(14R)-Grayanotox-10(20)-ene-3β,5,6β,14,16-pentol 14-propanoate
CAS registry number:
23984-18-1
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