CID 10425017

560-62-3

Structural Information

Molecular Formula
C19H26O3
SMILES
C[C@]12CC[C@]3([C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43C)O
InChI
InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1
InChIKey
SNMVJSSWZSJOGL-PLOWYNNNSA-N
Compound name
(8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

514
Patents

302.1882 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 173.3
[M+Na]+ 325.17742 180.2
[M-H]- 301.18092 176.9
[M+NH4]+ 320.22202 198.2
[M+K]+ 341.15136 174.4
[M+H-H2O]+ 285.18546 167.4
[M+HCOO]- 347.18640 183.3
[M+CH3COO]- 361.20205 183.0
[M+Na-2H]- 323.16287 175.6
[M]+ 302.18765 167.2
[M]- 302.18875 167.2
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.