CID 137705954

7h-6,9a-methano-4h-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one, 6,6a,7a,8,9,12,12a,12b-octahydro-12,12a-dihydroxy-2,2,7,7,9,11-hexamethyl-, (6r,6ar,7ar,9r,9as,12s,12ar,12br)-

Structural Information

Molecular Formula
C23H32O5
SMILES
CC1CC2C(C2(C)C)[C@@H]3C=C4COC(O[C@@H]4C5([C@@]1(C3=O)C=C(C5O)C)O)(C)C
InChI
InChI=1S/C23H32O5/c1-11-9-22-12(2)7-15-16(20(15,3)4)14(18(22)25)8-13-10-27-21(5,6)28-19(13)23(22,26)17(11)24/h8-9,12,14-17,19,24,26H,7,10H2,1-6H3/t12?,14-,15?,16?,17?,19-,22-,23?/m0/s1
InChIKey
ONMDPPVVEFWDOD-KULQOCSNSA-N
Compound name
(1S,6S,13S)-4,5-dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.22498 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23226 180.1
[M+Na]+ 411.21420 190.8
[M-H]- 387.21770 188.0
[M+NH4]+ 406.25880 194.3
[M+K]+ 427.18814 187.3
[M+H-H2O]+ 371.22224 178.6
[M+HCOO]- 433.22318 184.6
[M+CH3COO]- 447.23883 188.5
[M+Na-2H]- 409.19965 183.3
[M]+ 388.22443 182.0
[M]- 388.22553 182.0
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.