CID 71296176

11-oxo-ent-cassa-12,15-dien-3alpha-ol

Structural Information

Molecular Formula
C20H30O2
SMILES
C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2C(=O)C=C1C=C)(CC[C@H](C3(C)C)O)C
InChI
InChI=1S/C20H30O2/c1-6-13-11-15(21)18-14(12(13)2)7-8-16-19(3,4)17(22)9-10-20(16,18)5/h6,11-12,14,16-18,22H,1,7-10H2,2-5H3/t12-,14-,16-,17-,18+,20-/m1/s1
InChIKey
YIBIQGNVXNLHOE-MFKVJZQJSA-N
Compound name
(1S,4aR,4bR,7R,8aS,10aR)-2-ethenyl-7-hydroxy-1,4b,8,8-tetramethyl-4a,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 174.9
[M+Na]+ 325.21380 186.0
[M+NH4]+ 320.25840 186.5
[M+K]+ 341.18774 174.5
[M-H]- 301.21730 177.5
[M+Na-2H]- 323.19925 178.5
[M]+ 302.22403 177.5
[M]- 302.22513 177.5
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.