CID 171121377

Ximaosarcophytol b

Structural Information

Molecular Formula
C20H32O2
SMILES
C/C/1=C\CC/C(=C/C/C=C(\C=C\[C@@](CC1)(C(C)(C)O)O)/C)/C
InChI
InChI=1S/C20H32O2/c1-16-8-6-10-17(2)12-14-20(22,19(4,5)21)15-13-18(3)11-7-9-16/h8,10-12,14,21-22H,6-7,9,13,15H2,1-5H3/b14-12+,16-8+,17-10-,18-11+/t20-/m1/s1
InChIKey
SECPNCQNMJDPBF-STMGXBFISA-N
Compound name
(1S,2E,4Z,7E,11E)-1-(2-hydroxypropan-2-yl)-4,8,12-trimethylcyclotetradeca-2,4,7,11-tetraen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 174.1
[M+Na]+ 327.229448 179.7
[M-H]- 303.232954 173.8
[M+NH4]+ 322.274053 187.7
[M+K]+ 343.203388 176.6
[M+H-H2O]+ 287.237490 172.7
[M+HCOO]- 349.238431 188.9
[M+CH3COO]- 363.254081 196.3
[M+Na-2H]- 325.214896 175.0
[M]+ 304.23968142 168.9
[M]- 304.24077858 168.9
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.