CID 489931

Paepalantine-9-o-.alpha.-l-rhamnopyranosyl-(1->6)-.beta.-d-glucopyranoside

Structural Information

Molecular Formula
C29H36O14
SMILES
C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=CC(=CC4=C3C(=C5C(=C4OC)C=C(OC5=O)C)C)OC)O)O)O)O)O)O
InChI
InChI=1S/C29H36O14/c1-10-6-14-19(27(36)40-10)11(2)18-15(26(14)38-5)7-13(37-4)8-16(18)42-29-25(35)23(33)21(31)17(43-29)9-39-28-24(34)22(32)20(30)12(3)41-28/h6-8,12,17,20-25,28-35H,9H2,1-5H3/t12-,17+,20-,21+,22+,23-,24+,25+,28?,29?/m0/s1
InChIKey
SNKLEOYAZBHKON-LQFZQCROSA-N
Compound name
5,7-dimethoxy-3,10-dimethyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

608.2105 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.21778 240.3
[M+Na]+ 631.19972 244.8
[M-H]- 607.20322 236.2
[M+NH4]+ 626.24432 242.0
[M+K]+ 647.17366 238.7
[M+H-H2O]+ 591.20776 234.2
[M+HCOO]- 653.20870 243.9
[M+CH3COO]- 667.22435 264.2
[M+Na-2H]- 629.18517 263.2
[M]+ 608.20995 251.2
[M]- 608.21105 251.2
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.