CID 132967562

5-[(1r,7s,8s,11s,17r)-7-methyl-18-oxapentacyclo[15.1.1.02,15.04,12.07,11]nonadeca-2(15),4(12),13-trien-8-yl]pyran-2-one

Structural Information

Molecular Formula
C24H26O3
SMILES
C[C@]12CCC3=C([C@H]1CC[C@@H]2C4=COC(=O)C=C4)C=CC5=C(C3)[C@H]6C[C@@H](C5)O6
InChI
InChI=1S/C24H26O3/c1-24-9-8-15-11-19-14(10-17-12-22(19)27-17)2-4-18(15)21(24)6-5-20(24)16-3-7-23(25)26-13-16/h2-4,7,13,17,20-22H,5-6,8-12H2,1H3/t17-,20-,21-,22-,24-/m1/s1
InChIKey
FQKYABDIYZYQGA-PGDPNNLMSA-N
Compound name
5-[(1R,7S,8S,11S,17R)-7-methyl-18-oxapentacyclo[15.1.1.02,15.04,12.07,11]nonadeca-2(15),4(12),13-trien-8-yl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19548 183.2
[M+Na]+ 385.17742 189.0
[M-H]- 361.18092 192.1
[M+NH4]+ 380.22202 196.3
[M+K]+ 401.15136 187.7
[M+H-H2O]+ 345.18546 175.0
[M+HCOO]- 407.18640 190.7
[M+CH3COO]- 421.20205 192.0
[M+Na-2H]- 383.16287 187.9
[M]+ 362.18765 191.1
[M]- 362.18875 191.1
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.