CID 145944446

Chebi:146141

Structural Information

Molecular Formula
C30H50O6
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OC(CCO)O)O)C
InChI
InChI=1S/C30H50O6/c1-19(8-6-15-29(3,4)35)23-12-13-24-21(9-7-16-30(23,24)5)10-11-22-18-25(32)28(27(34)20(22)2)36-26(33)14-17-31/h10-11,19,23-28,31-35H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24+,25-,26?,27-,28-,30-/m1/s1
InChIKey
GZDPNQKGISMNTG-RCDUEGHXSA-N
Compound name
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(1,3-dihydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.36075 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.368026 228.4
[M+Na]+ 529.349968 226.3
[M-H]- 505.353474 225.8
[M+NH4]+ 524.394573 236.3
[M+K]+ 545.323908 220.6
[M+H-H2O]+ 489.358010 224.4
[M+HCOO]- 551.358951 227.8
[M+CH3COO]- 565.374601 237.2
[M+Na-2H]- 527.335416 218.1
[M]+ 506.36020142 221.1
[M]- 506.36129858 221.1
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.