CID 131752340

2-(hydroxymethyl)-6-[[19-methoxy-8-[(e)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C38H62O9
SMILES
CC(C/C=C/C(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4OC)C)C
InChI
InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+
InChIKey
JYKQEJLWLRMCRC-MHWRWJLKSA-N
Compound name
2-(hydroxymethyl)-6-[[19-methoxy-8-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

662.4394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.44668 251.5
[M+Na]+ 685.42862 252.0
[M-H]- 661.43212 254.2
[M+NH4]+ 680.47322 262.8
[M+K]+ 701.40256 251.4
[M+H-H2O]+ 645.43666 248.6
[M+HCOO]- 707.43760 243.2
[M+CH3COO]- 721.45325 269.0
[M+Na-2H]- 683.41407 248.4
[M]+ 662.43885 252.8
[M]- 662.43995 252.8
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

No patent data available for this compound.