CID 129908054

Jinfushanencins f

Structural Information

Molecular Formula
C30H46O6
SMILES
C/C(=C/[C@H]1C[C@](C2[C@H](O1)C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C[C@@H]([C@H](C5(C)C)O)O)C)C)C)(C)O)/CO
InChI
InChI=1S/C30H46O6/c1-16(15-31)10-17-12-29(6,35)24-21(36-17)13-27(4)22-9-8-18-19(11-20(32)25(34)26(18,2)3)30(22,7)23(33)14-28(24,27)5/h8,10,17,19-22,24-25,31-32,34-35H,9,11-15H2,1-7H3/b16-10-/t17-,19+,20-,21+,22-,24?,25+,27-,28+,29-,30-/m0/s1
InChIKey
AGRBDTWEKDGHKL-ZLYODCQWSA-N
Compound name
(1S,2S,4R,6R,8S,10R,13R,14R,16S,17S)-8,16,17-trihydroxy-6-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.32944 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.33672 219.0
[M+Na]+ 525.31866 225.3
[M-H]- 501.32216 219.0
[M+NH4]+ 520.36326 237.8
[M+K]+ 541.29260 220.1
[M+H-H2O]+ 485.32670 214.7
[M+HCOO]- 547.32764 215.1
[M+CH3COO]- 561.34329 241.2
[M+Na-2H]- 523.30411 217.2
[M]+ 502.32889 215.6
[M]- 502.32999 215.6
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.