CID 20055300

Ns00051677

Structural Information

Molecular Formula
C23H32O4
SMILES
CCC1O[C@@]23CC[C@]([C@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@H]45)C)(O1)C(=O)C
InChI
InChI=1S/C23H32O4/c1-4-20-26-22(14(2)24)11-12-23(27-20)19-8-5-15-13-16(25)6-7-17(15)18(19)9-10-21(22,23)3/h13,17-20H,4-12H2,1-3H3/t17-,18+,19+,20?,21+,22-,23+/m0/s1
InChIKey
YDVNWTDVKVVFKN-HHRDFERRSA-N
Compound name
(1R,2R,10R,11R,14S,15R)-15-acetyl-17-ethyl-14-methyl-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.23007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.237346 188.0
[M+Na]+ 395.219288 192.5
[M-H]- 371.222794 193.9
[M+NH4]+ 390.263893 208.1
[M+K]+ 411.193228 189.7
[M+H-H2O]+ 355.227330 180.2
[M+HCOO]- 417.228271 192.7
[M+CH3COO]- 431.243921 196.1
[M+Na-2H]- 393.204736 189.0
[M]+ 372.22952142 183.8
[M]- 372.23061858 183.8
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.