CID 163108547

2-[(2s,5s)-5-[(2r,5s)-5-[(2r,4as,6r,8ar)-4a-methyl-2-[(2s,5s)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]-3,4,6,7,8,8a-hexahydro-2h-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

Structural Information

Molecular Formula
C30H50O6
SMILES
CC(=C)[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@]3([C@H](O2)CC[C@@H](O3)[C@@]4(CC[C@@H](O4)[C@@]5(CC[C@H](O5)C(C)(C)O)C)C)C
InChI
InChI=1S/C30H50O6/c1-19(2)20-11-15-27(5,33-20)23-13-17-28(6)22(32-23)9-10-24(35-28)29(7)18-14-25(36-29)30(8)16-12-21(34-30)26(3,4)31/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23+,24+,25+,27-,28-,29-,30-/m0/s1
InChIKey
FGNLERWTWZCDIL-LHRQLGMFSA-N
Compound name
2-[(2S,5S)-5-[(2R,5S)-5-[(2R,4aS,6R,8aR)-4a-methyl-2-[(2S,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.36075 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.36803 214.0
[M+Na]+ 529.34997 215.4
[M-H]- 505.35347 226.2
[M+NH4]+ 524.39457 226.6
[M+K]+ 545.32391 217.6
[M+H-H2O]+ 489.35801 214.3
[M+HCOO]- 551.35895 214.5
[M+CH3COO]- 565.37460 240.4
[M+Na-2H]- 527.33542 210.0
[M]+ 506.36020 211.6
[M]- 506.36130 211.6
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.