CID 101907481

(1r,2r,6r,7r,8r,9s,12z)-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-ol

Structural Information

Molecular Formula
C20H32O2
SMILES
C/C/1=C/CC[C@]([C@H]2[C@@H]3[C@H](CCC(=C)[C@@H]3[C@@H](C1)O2)C(C)C)(C)O
InChI
InChI=1S/C20H32O2/c1-12(2)15-9-8-14(4)17-16-11-13(3)7-6-10-20(5,21)19(22-16)18(15)17/h7,12,15-19,21H,4,6,8-11H2,1-3,5H3/b13-7-/t15-,16-,17-,18-,19-,20+/m1/s1
InChIKey
JRIWYQNERQUJOM-ZSQWWYBESA-N
Compound name
(1R,2R,6R,7R,8R,9S,12Z)-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 198.1
[M+Na]+ 327.22945 198.2
[M-H]- 303.23295 197.3
[M+NH4]+ 322.27405 197.5
[M+K]+ 343.20339 196.8
[M+H-H2O]+ 287.23749 188.9
[M+HCOO]- 349.23843 198.1
[M+CH3COO]- 363.25408 198.6
[M+Na-2H]- 325.21490 199.4
[M]+ 304.23968 197.6
[M]- 304.24078 197.6
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.