Chem
J-GLOBAL ID：200907051123943922
Nikkaji number：J413.458C
(14R)-Grayanotox-16-ene-3β,5,6β,14,15α-pentol
(14R)-グラヤノトキサ-16-エン-3β,5,6β,14,15α-ペンタオール
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： C20H32O5
Molecular formula furigana： C20-H32-O5
Molecular weight： 352.471
InChI：
InChI=1S/C20H32O5/c1-9-11-5-6-12-10(2)13-7-14(21)18(3,4)20(13,25)15(22)8-19(12,16(9)23)17(11)24/h10-17,21-25H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-,15+,16-,17+,19+,20-/m0/s1
InChI key：
BUAOYFNUKOOHHP-VKDRQZQVSA-N
SMILES：
C[C@@H]1[C@@H]2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@@]23[C@H](O)[C@@H](CC[C@@H]12)C(=C)[C@@H]3O
Systematic name (3)：
- (14R)-グラヤノトキサ-16-エン-3β,5,6β,14,15α-ペンタオール
- (1S,3R,4R,6S,8S,9S,10S,13S,15S,16R)-5,5,9-トリメチル-14-メチリデンテトラシクロ[11.2.1.01,10.04,8]ヘキサデカン-3,4,6,15,16-ペンタオール
- (1S,3R,4R,6S,8S,9S,10S,13S,15S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,15,16-pentol
- (14R)-Grayanotox-16-ene-3β,5,6β,14,15α-pentol
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