CID 11733238

Stoloniferone g

Structural Information

Molecular Formula
C28H44O5
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]([C@@]4([C@@]3(C(=O)[C@@H](C=C4)O)C)O)O)O)C
InChI
InChI=1S/C28H44O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15,17-24,29-31,33H,3,7-10,13-14H2,1-2,4-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,26-,27+,28+/m1/s1
InChIKey
XLUAFUWMFZEETH-QFEHSGLGSA-N
Compound name
(2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.31888 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.32616 214.2
[M+Na]+ 483.30810 217.1
[M-H]- 459.31160 212.4
[M+NH4]+ 478.35270 230.9
[M+K]+ 499.28204 211.5
[M+H-H2O]+ 443.31614 211.2
[M+HCOO]- 505.31708 213.3
[M+CH3COO]- 519.33273 233.9
[M+Na-2H]- 481.29355 207.6
[M]+ 460.31833 208.5
[M]- 460.31943 208.5
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.