CID 171990296

(1s,3r,6s,8r,11s,12r,15r,16r)-7,7,8,11,12,16-hexamethyl-15-[(2r)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

Structural Information

Molecular Formula
C33H56O
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@]2(CC[C@@]5([C@]3(C4)CC[C@@H](C5(C)C)O)C)C)C)C
InChI
InChI=1S/C33H56O/c1-22(2)23(3)11-12-24(4)25-13-15-30(9)28(25,7)17-20-33-21-32(33)16-14-26(34)27(5,6)29(32,8)18-19-31(30,33)10/h22,24-26,34H,3,11-21H2,1-2,4-10H3/t24-,25-,26+,28-,29+,30-,31+,32-,33+/m1/s1
InChIKey
GZAORZCMLIDKDL-UWLNIBLBSA-N
Compound name
(1S,3R,6S,8R,11S,12R,15R,16R)-7,7,8,11,12,16-hexamethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[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

468.4331 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.44038 210.4
[M+Na]+ 491.42232 214.9
[M-H]- 467.42582 214.1
[M+NH4]+ 486.46692 230.5
[M+K]+ 507.39626 212.7
[M+H-H2O]+ 451.43036 206.7
[M+HCOO]- 513.43130 208.6
[M+CH3COO]- 527.44695 241.9
[M+Na-2H]- 489.40777 207.0
[M]+ 468.43255 210.3
[M]- 468.43365 210.3
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.