CID 12880072

1h-3b,8-(epoxyethano)cyclopent[a]inden-10-one, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl-

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

25
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 184.1
[M+Na]+ 405.18838 192.6
[M-H]- 381.19188 184.7
[M+NH4]+ 400.23298 207.6
[M+K]+ 421.16232 188.9
[M+H-H2O]+ 365.19642 184.1
[M+HCOO]- 427.19736 189.0
[M+CH3COO]- 441.21301 211.5
[M+Na-2H]- 403.17383 187.2
[M]+ 382.19861 184.6
[M]- 382.19971 184.6
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.