CID 21627915

1032-15-1

Structural Information

Molecular Formula
C19H32O
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC[C@@H]4[C@@]3(CCCC4)C
InChI
InChI=1S/C19H32O/c1-18-10-8-16-15(17(18)11-14(20)12-18)7-6-13-5-3-4-9-19(13,16)2/h13-17,20H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey
ROWZULHCENOYAY-TVRUUFEMSA-N
Compound name
(5R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.24533 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 172.6
[M+Na]+ 299.23455 181.2
[M+NH4]+ 294.27915 186.3
[M+K]+ 315.20849 171.1
[M-H]- 275.23805 175.8
[M+Na-2H]- 297.22000 174.9
[M]+ 276.24478 174.9
[M]- 276.24588 174.9
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.