CID 497952

(-)-13(16),14-spongiadiene

Structural Information

Molecular Formula
C20H30O
SMILES
C[C@]12CCCC([C@@H]1CC[C@@]3(C2CCC4=COC=C43)C)(C)C
InChI
InChI=1S/C20H30O/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15-13-21-12-14(15)6-7-17(19)20/h12-13,16-17H,5-11H2,1-4H3/t16-,17?,19-,20-/m0/s1
InChIKey
YMOPWLIPDPZTLZ-LYKJFQGKSA-N
Compound name
(3bR,5aS,9aS)-3b,6,6,9a-tetramethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.22968 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 170.7
[M+Na]+ 309.21890 177.6
[M-H]- 285.22240 176.3
[M+NH4]+ 304.26350 195.9
[M+K]+ 325.19284 173.2
[M+H-H2O]+ 269.22694 163.7
[M+HCOO]- 331.22788 182.0
[M+CH3COO]- 345.24353 181.3
[M+Na-2H]- 307.20435 174.3
[M]+ 286.22913 166.6
[M]- 286.23023 166.6
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.