CID 172677487

Lucidenic lactone

Structural Information

Molecular Formula
C27H40O7
SMILES
C[C@]12CC[C@@H](C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3([C@H](C[C@@H]4C5(CCC(=O)O5)CO)O)C)C)O)(C)C)O
InChI
InChI=1S/C27H40O7/c1-23(2)16-10-14(29)22-21(24(16,3)8-6-18(23)31)15(30)12-25(4)17(11-19(32)26(22,25)5)27(13-28)9-7-20(33)34-27/h14,16-19,28-29,31-32H,6-13H2,1-5H3/t14-,16-,17-,18-,19-,24-,25+,26-,27?/m0/s1
InChIKey
GYCUFPUGXHRSJP-FQEKIFAKSA-N
Compound name
5-(hydroxymethyl)-5-[(3S,5R,7S,10S,13R,14R,15S,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

476.2774 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.28468 208.8
[M+Na]+ 499.26662 216.4
[M-H]- 475.27012 212.4
[M+NH4]+ 494.31122 229.4
[M+K]+ 515.24056 211.5
[M+H-H2O]+ 459.27466 206.7
[M+HCOO]- 521.27560 210.1
[M+CH3COO]- 535.29125 232.7
[M+Na-2H]- 497.25207 207.6
[M]+ 476.27685 206.7
[M]- 476.27795 206.7
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.