CID 75144799

2,5-methano-2h-s-indaceno[8,1-bc]furan-2,5a,7,8c(2ah,6h)-tetrol, octahydro-3-(2-hydroxy-1-methylethyl)-2a,5,8-trimethyl-

Structural Information

Molecular Formula
C20H32O6
SMILES
CC1C(CC2(C1C3C4(C5C2(CC(C4(C(C5)C(C)CO)C)(O3)O)C)O)O)O
InChI
InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3
InChIKey
HQUSKUTUDDZKOD-UHFFFAOYSA-N
Compound name
11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-4,6,9,14-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

368.21988 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.227156 184.3
[M+Na]+ 391.209098 192.4
[M-H]- 367.212604 183.0
[M+NH4]+ 386.253703 211.5
[M+K]+ 407.183038 186.8
[M+H-H2O]+ 351.217140 184.7
[M+HCOO]- 413.218081 186.4
[M+CH3COO]- 427.233731 192.6
[M+Na-2H]- 389.194546 186.3
[M]+ 368.21933142 185.3
[M]- 368.22042858 185.3
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

patents stripe