CID 101690746

(1s,3r,6s,8r,11s,12s,15r,16r)-15-[(z,2r)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

Structural Information

Molecular Formula
C30H50O2
SMILES
C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI
InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8-/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
InChIKey
JSPGKOBNHWTKNT-GGXSAIRCSA-N
Compound name
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-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

442.38107 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 210.5
[M+Na]+ 465.37029 214.8
[M-H]- 441.37379 213.2
[M+NH4]+ 460.41489 227.9
[M+K]+ 481.34423 210.6
[M+H-H2O]+ 425.37833 206.9
[M+HCOO]- 487.37927 209.3
[M+CH3COO]- 501.39492 232.6
[M+Na-2H]- 463.35574 209.4
[M]+ 442.38052 208.8
[M]- 442.38162 208.8
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.