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 287.2
[M+Na]+ 877.49197 282.5
[M+NH4]+ 872.53657 284.6
[M+K]+ 893.46591 291.2
[M-H]- 853.49547 278.8
[M+Na-2H]- 875.47742 302.0
[M]+ 854.50220 283.3
[M]- 854.50330 283.3
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.