CID 121107561

Rhodojaponin v

Structural Information

Molecular Formula
C22H34O7
SMILES
CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)[C@H]5[C@@H](C4(C)C)O5)O)O)C[C@@]2(C)O
InChI
InChI=1S/C22H34O7/c1-10(23)28-16-11-6-7-12-20(5,26)15-14-17(29-14)18(2,3)22(15,27)13(24)8-21(12,16)9-19(11,4)25/h11-17,24-27H,6-9H2,1-5H3/t11-,12+,13-,14+,15+,16+,17+,19-,20-,21+,22-/m1/s1
InChIKey
OHDPFRGZBUACTR-KEROZRELSA-N
Compound name
[(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17S)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.23044 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23772 179.9
[M+Na]+ 433.21966 185.1
[M+NH4]+ 428.26426 191.8
[M+K]+ 449.19360 181.1
[M-H]- 409.22316 185.6
[M+Na-2H]- 431.20511 183.1
[M]+ 410.22989 183.8
[M]- 410.23099 183.8
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.