CID 131801249

Ent-cassa-12,15-dien-2beta-ol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2CC=C1C=C)(C[C@H](CC3(C)C)O)C
InChI
InChI=1S/C20H32O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15+,16-,17-,18-,20+/m1/s1
InChIKey
XABYPRBWQNEUHH-IIPJSQIGSA-N
Compound name
(3S,4aS,4bR,8S,8aR,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 173.5
[M+Na]+ 311.23455 184.7
[M+NH4]+ 306.27915 186.0
[M+K]+ 327.20849 172.6
[M-H]- 287.23805 176.8
[M+Na-2H]- 309.22000 177.8
[M]+ 288.24478 176.4
[M]- 288.24588 176.4
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

No patent data available for this compound.