CID 12880072

73599-11-8

Structural Information

Molecular Formula
C20H30O7
SMILES
CC1CCC2(C3(CC(=O)OC2(C1O)C4(C3(CC(=C4C)C(C)CO)O)O)C)O
InChI
InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3
InChIKey
WIFHAKQJYHVTQK-UHFFFAOYSA-N
Compound name
2,6,8,12-tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

382.19916 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20644 178.1
[M+Na]+ 405.18838 182.2
[M+NH4]+ 400.23298 189.6
[M+K]+ 421.16232 175.8
[M-H]- 381.19188 176.5
[M+Na-2H]- 403.17383 180.2
[M]+ 382.19861 178.5
[M]- 382.19971 178.5
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

patents stripe