CID 131751469

243468-98-6

Structural Information

Molecular Formula
C45H74O15
SMILES
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)COC6C(C(C(CO6)O)OC7C(C(C(CO7)O)OC8C(C(C(CO8)O)O)O)O)O)C)C)(C)C)O)C)C
InChI
InChI=1S/C45H74O15/c1-40(2)16-23-22-8-9-28-42(5)12-11-29(49)41(3,4)27(42)10-13-44(28,7)43(22,6)14-15-45(23,17-30(40)50)21-58-37-33(53)35(25(47)19-55-37)60-39-34(54)36(26(48)20-57-39)59-38-32(52)31(51)24(46)18-56-38/h8,23-39,46-54H,9-21H2,1-7H3
InChIKey
PUHAZANIUBMAAJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[(3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl)methoxy]-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

854.50275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 855.51003 294.9
[M+Na]+ 877.49197 296.7
[M-H]- 853.49547 288.4
[M+NH4]+ 872.53657 294.3
[M+K]+ 893.46591 288.0
[M+H-H2O]+ 837.50001 287.7
[M+HCOO]- 899.50095 295.2
[M+CH3COO]- 913.51660 297.9
[M+Na-2H]- 875.47742 318.0
[M]+ 854.50220 296.9
[M]- 854.50330 296.9
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.