CID 101404911

186099-81-0

Structural Information

Molecular Formula
C20H30O
SMILES
C[C@]12C=C[C@H](C[C@H]1CC[C@@H]3[C@@H]2CCC4=C3CCC4(C)C)O
InChI
InChI=1S/C20H30O/c1-19(2)10-9-16-15-5-4-13-12-14(21)8-11-20(13,3)18(15)7-6-17(16)19/h8,11,13-15,18,21H,4-7,9-10,12H2,1-3H3/t13-,14-,15+,18+,20+/m1/s1
InChIKey
YMHCJHYINLDCCN-AAFQGDDYSA-N
Compound name
(3S,5R,8R,9S,10R)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-3H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 172.9
[M+Na]+ 309.218898 178.9
[M-H]- 285.222404 176.4
[M+NH4]+ 304.263503 196.9
[M+K]+ 325.192838 172.5
[M+H-H2O]+ 269.226940 166.5
[M+HCOO]- 331.227881 183.4
[M+CH3COO]- 345.243531 182.5
[M+Na-2H]- 307.204346 173.8
[M]+ 286.22913142 166.3
[M]- 286.23022858 166.3
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.