CID 150900

1224-94-8

Structural Information

Molecular Formula
C19H28O
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,5,9,14-17,20H,4,6-8,10-12H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
QVHPTAJAHUONLV-DYKIIFRCSA-N
Compound name
(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

165
Patents

272.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22130 169.1
[M+Na]+ 295.20324 179.6
[M+NH4]+ 290.24784 183.0
[M+K]+ 311.17718 169.1
[M-H]- 271.20674 172.8
[M+Na-2H]- 293.18869 173.3
[M]+ 272.21347 172.0
[M]- 272.21457 172.0
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

patents stripe