CID 90658568

Ribosyl hopane

Structural Information

Molecular Formula
C35H60O4
SMILES
CC(CCC1[C@H]([C@H]([C@@H](O1)O)O)O)C2CC[C@]3(C2CC[C@@]4(C3CCC5[C@]4(CCC6[C@@]5(CCCC6(C)C)C)C)C)C
InChI
InChI=1S/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21?,22?,23?,24?,25?,26?,27?,28-,29-,30-,32+,33+,34-,35-/m1/s1
InChIKey
AGSPYXOEGPQCDH-FUINJVNZSA-N
Compound name
(2R,3R,4S)-5-[3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

6
Patents

544.44916 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.45644 237.1
[M+Na]+ 567.43838 239.1
[M-H]- 543.44188 239.5
[M+NH4]+ 562.48298 255.7
[M+K]+ 583.41232 232.2
[M+H-H2O]+ 527.44642 230.9
[M+HCOO]- 589.44736 230.4
[M+CH3COO]- 603.46301 239.5
[M+Na-2H]- 565.42383 228.2
[M]+ 544.44861 228.4
[M]- 544.44971 228.4
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.