CID 14588813

Ryanodol

Structural Information

Molecular Formula
C20H32O8
SMILES
C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)O)(C(C)C)O)C)O)C)O
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
InChIKey
POSDEVOSMOCDHR-BPHXWNOMSA-N
Compound name
(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
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

31
Patents

400.20972 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21700 166.6
[M+Na]+ 423.19894 166.9
[M+NH4]+ 418.24354 181.3
[M+K]+ 439.17288 160.0
[M-H]- 399.20244 161.5
[M+Na-2H]- 421.18439 167.2
[M]+ 400.20917 165.9
[M]- 400.21027 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.