CID 131751695

Momodicaursenol

Structural Information

Molecular Formula
C30H48O
SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2=C1C)C)C
InChI
InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19,22-24,31H,10-18H2,1-8H3
InChIKey
LGVXVLHBYPSFGC-UHFFFAOYSA-N
Compound name
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,14,14a-dodecahydro-1H-picen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.3705 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.37778 206.4
[M+Na]+ 447.35972 212.5
[M-H]- 423.36322 209.4
[M+NH4]+ 442.40432 229.5
[M+K]+ 463.33366 205.2
[M+H-H2O]+ 407.36776 195.5
[M+HCOO]- 469.36870 207.3
[M+CH3COO]- 483.38435 212.4
[M+Na-2H]- 445.34517 205.6
[M]+ 424.36995 199.1
[M]- 424.37105 199.1
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.