CID 16731462

Stoloniferone p

Structural Information

Molecular Formula
C28H42O3
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H](C4=CC=CC(=O)[C@]34C)O)O)C
InChI
InChI=1S/C28H42O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-9,16,18-21,23-24,26,29-30H,3,10-15H2,1-2,4-6H3/t18-,19+,20-,21+,23-,24-,26-,27-,28-/m1/s1
InChIKey
ORIPLJIEQPXYQX-OWKHESKOSA-N
Compound name
(6R,8S,9S,10R,11R,13R,14S,17R)-6,11-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.3134 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.32068 209.4
[M+Na]+ 449.30262 212.3
[M-H]- 425.30612 210.4
[M+NH4]+ 444.34722 226.9
[M+K]+ 465.27656 205.9
[M+H-H2O]+ 409.31066 204.3
[M+HCOO]- 471.31160 212.9
[M+CH3COO]- 485.32725 232.0
[M+Na-2H]- 447.28807 202.4
[M]+ 426.31285 204.3
[M]- 426.31395 204.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.