CID 75069470

3-deoxyryanodol

Structural Information

Molecular Formula
C20H32O7
SMILES
CC1CCC2(C3(CC4(C5(C(CC3(C5(C2(C1O)O4)O)O)(C(C)C)O)C)O)C)O
InChI
InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3
InChIKey
TVHZPQAYPSOHQT-UHFFFAOYSA-N
Compound name
3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

81
Patents

384.2148 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22208 182.6
[M+Na]+ 407.20402 192.0
[M-H]- 383.20752 179.3
[M+NH4]+ 402.24862 213.6
[M+K]+ 423.17796 185.9
[M+H-H2O]+ 367.21206 181.8
[M+HCOO]- 429.21300 180.5
[M+CH3COO]- 443.22865 190.3
[M+Na-2H]- 405.18947 190.7
[M]+ 384.21425 188.5
[M]- 384.21535 188.5
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

patents stripe