CID 73950885

(1r,3z,5r,7s,9r,13s,14s)-1,9,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one

Structural Information

Molecular Formula
C20H30O4
SMILES
C[C@H]1C[C@]2(C([C@H]1O)CC(=C)[C@@H](C[C@H]3[C@H](C3(C)C)/C=C(\C2=O)/C)O)O
InChI
InChI=1S/C20H30O4/c1-10-6-15-17(22)12(3)9-20(15,24)18(23)11(2)7-13-14(8-16(10)21)19(13,4)5/h7,12-17,21-22,24H,1,6,8-9H2,2-5H3/b11-7-/t12-,13+,14-,15?,16+,17-,20+/m0/s1
InChIKey
XYXDIXJADPYNOO-UHPDLYGISA-N
Compound name
(1R,3Z,5R,7S,9R,13S,14S)-1,9,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 171.3
[M+Na]+ 357.20364 181.6
[M-H]- 333.20714 172.0
[M+NH4]+ 352.24824 185.0
[M+K]+ 373.17758 177.1
[M+H-H2O]+ 317.21168 174.0
[M+HCOO]- 379.21262 181.3
[M+CH3COO]- 393.22827 207.1
[M+Na-2H]- 355.18909 169.6
[M]+ 334.21387 170.8
[M]- 334.21497 170.8
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.