CID 129902497

(1s,6r,10r,13s,15s)-6,10-dimethyl-5-propan-2-yl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

Structural Information

Molecular Formula
C22H34O3
SMILES
CC(C)C1CCC2[C@@]1(CCC3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
InChI
InChI=1S/C22H34O3/c1-14(2)16-5-6-17-19(16,3)9-8-18-20(4)10-7-15(23)13-21(20)11-12-22(17,18)25-24-21/h11-12,14-18,23H,5-10,13H2,1-4H3/t15-,16?,17?,18?,19+,20+,21+,22-/m0/s1
InChIKey
CMUZTGQUIJFWGS-KEQRHILESA-N
Compound name
(1S,6R,10R,13S,15S)-6,10-dimethyl-5-propan-2-yl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2508 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 178.5
[M+Na]+ 369.24002 181.9
[M-H]- 345.24352 179.5
[M+NH4]+ 364.28462 202.6
[M+K]+ 385.21396 178.5
[M+H-H2O]+ 329.24806 169.0
[M+HCOO]- 391.24900 177.7
[M+CH3COO]- 405.26465 185.6
[M+Na-2H]- 367.22547 183.4
[M]+ 346.25025 176.5
[M]- 346.25135 176.5
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.