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
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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:
C20 H32 O5
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
Other name (1):
(14R)-Grayanotox-16-ene-3β,5,6β,14,15α-pentol
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