CID 73946271

(1r,2s,4s,6s,7s,8r,9s,12s,13s)-5',5',7,9,13-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxolane]

Structural Information

Molecular Formula
C27H44O2
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCCC5)C)C)O[C@]16CCC(O6)(C)C
InChI
InChI=1S/C27H44O2/c1-17-23-22(28-27(17)15-14-24(2,3)29-27)16-21-19-10-9-18-8-6-7-12-25(18,4)20(19)11-13-26(21,23)5/h17-23H,6-16H2,1-5H3/t17-,18?,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1
InChIKey
JSDSJUPEGNNVNX-NERVNPJOSA-N
Compound name
(1R,2S,4S,6S,7S,8R,9S,12S,13S)-5',5',7,9,13-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

400.33414 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.34142 202.9
[M+Na]+ 423.32336 208.0
[M-H]- 399.32686 210.3
[M+NH4]+ 418.36796 227.9
[M+K]+ 439.29730 201.8
[M+H-H2O]+ 383.33140 196.6
[M+HCOO]- 445.33234 205.8
[M+CH3COO]- 459.34799 210.2
[M+Na-2H]- 421.30881 196.8
[M]+ 400.33359 195.5
[M]- 400.33469 195.5
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.