CID 10902801

(1s,2r,6s,7r,9r,11s,13r)-6,9,13-trimethyl-3-propan-2-yl-12-oxatetracyclo[7.6.0.02,6.011,13]pentadec-3-en-7-ol

Structural Information

Molecular Formula
C20H32O2
SMILES
CC(C)C1=CC[C@]2([C@@H]1[C@@H]3CC[C@@]4([C@@H](O4)C[C@]3(C[C@H]2O)C)C)C
InChI
InChI=1S/C20H32O2/c1-12(2)13-6-8-19(4)15(21)10-18(3)11-16-20(5,22-16)9-7-14(18)17(13)19/h6,12,14-17,21H,7-11H2,1-5H3/t14-,15+,16-,17-,18+,19+,20+/m0/s1
InChIKey
CWNPNGTZQQEMPD-GGUSCIRSSA-N
Compound name
(1S,2R,6S,7R,9R,11S,13R)-6,9,13-trimethyl-3-propan-2-yl-12-oxatetracyclo[7.6.0.02,6.011,13]pentadec-3-en-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 167.3
[M+Na]+ 327.22945 174.5
[M-H]- 303.23295 173.7
[M+NH4]+ 322.27405 185.1
[M+K]+ 343.20339 173.2
[M+H-H2O]+ 287.23749 164.2
[M+HCOO]- 349.23843 176.1
[M+CH3COO]- 363.25408 177.1
[M+Na-2H]- 325.21490 169.8
[M]+ 304.23968 166.6
[M]- 304.24078 166.6
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.