CID 5283649

4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol

Structural Information

Molecular Formula
C30H48O
SMILES
C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3C2=CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C)C)O
InChI
InChI=1S/C30H48O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h12,14,19,21-24,27,31H,3,9-11,13,15-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
InChIKey
MQQBTSOGCQNWAX-VSADUBDNSA-N
Compound name
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.3705 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.37778 212.2
[M+Na]+ 447.35972 215.0
[M-H]- 423.36322 214.0
[M+NH4]+ 442.40432 232.3
[M+K]+ 463.33366 208.0
[M+H-H2O]+ 407.36776 206.1
[M+HCOO]- 469.36870 216.0
[M+CH3COO]- 483.38435 234.7
[M+Na-2H]- 445.34517 205.4
[M]+ 424.36995 207.0
[M]- 424.37105 207.0
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.