CID 154700470

Chebi:156465

Structural Information

Molecular Formula
C26H38O5
SMILES
C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4(C(=C(C(=O)C(=C4O3)C)C(=O)OC)C)C)(CC[C@@H](C2(C)C)O)C
InChI
InChI=1S/C26H38O5/c1-14-9-10-17-23(4,5)18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)31-26/h14,17-18,27H,9-13H2,1-8H3/t14-,17-,18-,24+,25-,26-/m0/s1
InChIKey
HZEVYBOSABKEMZ-CQUVUHMISA-N
Compound name
methyl (3S,3'aR,4aS,7S,8S,8aS)-3-hydroxy-3'a,4,4,4',7,7',8a-heptamethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-5'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2719 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.279176 197.1
[M+Na]+ 453.261118 205.8
[M-H]- 429.264624 203.3
[M+NH4]+ 448.305723 218.0
[M+K]+ 469.235058 202.8
[M+H-H2O]+ 413.269160 192.8
[M+HCOO]- 475.270101 204.7
[M+CH3COO]- 489.285751 231.7
[M+Na-2H]- 451.246566 196.6
[M]+ 430.27135142 198.4
[M]- 430.27244858 198.4
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.