CID 78384956

Lucidenolactone

Structural Information

Molecular Formula
C27H36O6
SMILES
CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C5(CCC(=O)O5)C)C)C)O)C
InChI
InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3
InChIKey
NEYFZTSOEPMHGQ-UHFFFAOYSA-N
Compound name
7-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

456.2512 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.25848 198.9
[M+Na]+ 479.24042 208.4
[M-H]- 455.24392 206.5
[M+NH4]+ 474.28502 222.2
[M+K]+ 495.21436 203.5
[M+H-H2O]+ 439.24846 195.5
[M+HCOO]- 501.24940 205.0
[M+CH3COO]- 515.26505 234.8
[M+Na-2H]- 477.22587 198.1
[M]+ 456.25065 198.4
[M]- 456.25175 198.4
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.