Chem
J-GLOBAL ID:200907077116749575
Nikkaji number:J719.357B
Ryanodol
リアノドール
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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 O8
Molecular formula furigana:
C20-H32-O8
Molecular weight:
400.468
InChI:
InChI=1S/C20H32O8/c1-9(2)17(25)12(22)18(26)13(4)8-16(24)14(17,5)20(18,27)19(28-16)11(21)10(3)6-7-15(13,19)23/h9-12,21-27H,6-8H2,1-5H3/t10-,11+,12+,13-,14-,15-,16-,17+,18+,19+,20+/m0/s1
InChI key:
POSDEVOSMOCDHR-BPHXWNOMSA-N
SMILES:
CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C
Systematic name (3):
リアノドール
(1R,2R,3S,6S,7S,9S,10S,11S,12R,13S,14R)-3,7,10-トリメチル-11-(プロパン-2-イル)-15-オキサペンタシクロ[7.5.1.01,6 .07,13 .010,14 ]ペンタデカン-2,6,9,11,12,13,14-ヘプタオール
(1R,2R,3S,6S,7S,9S,10S,11S,12R,13S,14R)-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.01,6 .07,13 .010,14 ]pentadecane-2,6,9,11,12,13,14-heptol
Other name (1):
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