CID 44149679

Einecs 305-311-8

Structural Information

Molecular Formula
C23H30O5
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]3C4([C@H]2CCC5=CC(=O)CC[C@@]54C)O3)C)OC(=O)C
InChI
InChI=1S/C23H30O5/c1-13(24)22(27-14(2)25)10-8-17-18-6-5-15-11-16(26)7-9-20(15,3)23(18)19(28-23)12-21(17,22)4/h11,17-19H,5-10,12H2,1-4H3/t17-,18-,19+,20-,21-,22-,23?/m0/s1
InChIKey
UHRIXJLDCNOZKI-FTQODURBSA-N
Compound name
[(2S,10S,11S,14R,15S,17R)-14-acetyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.20932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21660 192.3
[M+Na]+ 409.19854 200.1
[M-H]- 385.20204 199.0
[M+NH4]+ 404.24314 210.1
[M+K]+ 425.17248 198.9
[M+H-H2O]+ 369.20658 187.8
[M+HCOO]- 431.20752 197.7
[M+CH3COO]- 445.22317 200.9
[M+Na-2H]- 407.18399 194.2
[M]+ 386.20877 195.7
[M]- 386.20987 195.7
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.