CID 14633008

5-hydroxy-4-methoxybisabola-2,10-dien-9-one

Structural Information

Molecular Formula
C16H26O3
SMILES
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@@H]([C@@](C=C1)(C)OC)O
InChI
InChI=1S/C16H26O3/c1-11(2)8-14(17)9-12(3)13-6-7-16(4,19-5)15(18)10-13/h6-8,12-13,15,18H,9-10H2,1-5H3/t12-,13+,15-,16-/m0/s1
InChIKey
XQXANAYBQDKOBU-XRGAULLZSA-N
Compound name
(6S)-6-[(1R,4S,5S)-5-hydroxy-4-methoxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 164.1
[M+Na]+ 289.17742 168.7
[M-H]- 265.18092 165.6
[M+NH4]+ 284.22202 182.1
[M+K]+ 305.15136 166.9
[M+H-H2O]+ 249.18546 159.3
[M+HCOO]- 311.18640 180.0
[M+CH3COO]- 325.20205 198.7
[M+Na-2H]- 287.16287 162.6
[M]+ 266.18765 163.9
[M]- 266.18875 163.9
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.