CID 206656

28371-51-9

Structural Information

Molecular Formula
C20H30O5
SMILES
C[C@]1(CC23CC(=O)[C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CCC1[C@@H]3O)O)O
InChI
InChI=1S/C20H30O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-14,16,21,23-25H,1,5-9H2,2-4H3/t11-,12?,13-,14-,16-,18+,19?,20-/m0/s1
InChIKey
GTIDMADMEINXCZ-IOMJJTKHSA-N
Compound name
(4R,6S,8S,10S,14R,16S)-4,6,14,16-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.20932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21660 184.0
[M+Na]+ 373.19854 191.4
[M-H]- 349.20204 185.5
[M+NH4]+ 368.24314 207.9
[M+K]+ 389.17248 185.2
[M+H-H2O]+ 333.20658 182.5
[M+HCOO]- 395.20752 189.9
[M+CH3COO]- 409.22317 208.8
[M+Na-2H]- 371.18399 183.6
[M]+ 350.20877 177.8
[M]- 350.20987 177.8
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.