CID 131752822

(+)-lucialdehyde c

Structural Information

Molecular Formula
C30H46O3
SMILES
CC(CC/C=C(\C)/C=O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
InChI
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+
InChIKey
PIOYBULRRJNPSG-DJKKODMXSA-N
Compound name
(E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

454.3447 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.35198 214.3
[M+Na]+ 477.33392 220.7
[M+NH4]+ 472.37852 226.5
[M+K]+ 493.30786 208.3
[M-H]- 453.33742 214.9
[M+Na-2H]- 475.31937 215.9
[M]+ 454.34415 215.8
[M]- 454.34525 215.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.