CID 157009967

25-ethoxy-24-methoxycylcoartanol

Structural Information

Molecular Formula
C32H56O3
SMILES
CCOC(C)C(CC[C@@H](C)C1CC[C@@]2([C@@]1(CCC34C2CCC5C3(C4)CC[C@@H](C5(C)C)O)C)C)OC
InChI
InChI=1S/C32H56O3/c1-9-35-22(3)24(34-8)11-10-21(2)23-14-16-30(7)26-13-12-25-28(4,5)27(33)15-17-31(25)20-32(26,31)19-18-29(23,30)6/h21-27,33H,9-20H2,1-8H3/t21-,22?,23?,24?,25?,26?,27+,29-,30+,31?,32?/m1/s1
InChIKey
OGMSFXBEECUZBJ-HPKPZDKRSA-N
Compound name
(6S,12S,16R)-15-[(2R)-6-ethoxy-5-methoxyheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.42294 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.43022 221.1
[M+Na]+ 511.41216 223.4
[M-H]- 487.41566 224.2
[M+NH4]+ 506.45676 237.0
[M+K]+ 527.38610 221.1
[M+H-H2O]+ 471.42020 216.8
[M+HCOO]- 533.42114 220.0
[M+CH3COO]- 547.43679 244.1
[M+Na-2H]- 509.39761 216.3
[M]+ 488.42239 222.7
[M]- 488.42349 222.7
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.