CID 604937

Moretenone

Structural Information

Molecular Formula
C30H48O
SMILES
CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C
InChI
InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3
InChIKey
VEVKLOLYYQLRRV-UHFFFAOYSA-N
Compound name
5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

424.3705 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.37778 207.1
[M+Na]+ 447.35972 212.0
[M-H]- 423.36322 210.5
[M+NH4]+ 442.40432 232.1
[M+K]+ 463.33366 203.8
[M+H-H2O]+ 407.36776 198.3
[M+HCOO]- 469.36870 208.2
[M+CH3COO]- 483.38435 213.1
[M+Na-2H]- 445.34517 202.7
[M]+ 424.36995 198.4
[M]- 424.37105 198.4
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