CID 475410

Lucidumol a

Structural Information

Molecular Formula
C30H48O4
SMILES
C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22+,24+,28-,29-,30+/m1/s1
InChIKey
LVGCWXNRZNCAJG-AMKDLFIQSA-N
Compound name
(5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

7
Patents

472.35526 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.362536 216.5
[M+Na]+ 495.344478 220.6
[M-H]- 471.347984 217.2
[M+NH4]+ 490.389083 236.1
[M+K]+ 511.318418 215.4
[M+H-H2O]+ 455.352520 213.1
[M+HCOO]- 517.353461 217.4
[M+CH3COO]- 531.369111 239.2
[M+Na-2H]- 493.329926 214.0
[M]+ 472.35471142 213.8
[M]- 472.35580858 213.8
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.