CID 27205

Podocarpa-8,11,13-trien-12-ol

Structural Information

Molecular Formula
C17H24O
SMILES
CC1(CCCC2(C1CCC3=C2C=C(C=C3)O)C)C
InChI
InChI=1S/C17H24O/c1-16(2)9-4-10-17(3)14-11-13(18)7-5-12(14)6-8-15(16)17/h5,7,11,15,18H,4,6,8-10H2,1-3H3
InChIKey
DVRNZIIXOYTWET-UHFFFAOYSA-N
Compound name
4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.18271 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 159.2
[M+Na]+ 267.17193 172.2
[M+NH4]+ 262.21653 172.6
[M+K]+ 283.14587 160.0
[M-H]- 243.17543 163.2
[M+Na-2H]- 265.15738 166.6
[M]+ 244.18216 162.7
[M]- 244.18326 162.7
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

patents stripe