CID 85200143

(12s,15s)-15-o-demethyl-10,29-dideoxy-11,12-dihydro-striatin c

Structural Information

Molecular Formula
C25H38O6
SMILES
CC(C)C1=C2C3CCC4C5C(C3(CCC2(CC1)C)C)OC6C5(C(C(CO6)O)OC4O)O
InChI
InChI=1S/C25H38O6/c1-12(2)13-7-8-23(3)9-10-24(4)15(17(13)23)6-5-14-18-20(24)31-22-25(18,28)19(30-21(14)27)16(26)11-29-22/h12,14-16,18-22,26-28H,5-11H2,1-4H3
InChIKey
FTZQOXPOWUWXJV-UHFFFAOYSA-N
Compound name
2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricos-8-ene-14,17,21-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.26685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27413 201.4
[M+Na]+ 457.25607 205.6
[M-H]- 433.25957 205.4
[M+NH4]+ 452.30067 218.6
[M+K]+ 473.23001 202.5
[M+H-H2O]+ 417.26411 198.0
[M+HCOO]- 479.26505 198.7
[M+CH3COO]- 493.28070 207.3
[M+Na-2H]- 455.24152 199.8
[M]+ 434.26630 197.0
[M]- 434.26740 197.0
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.