CID 101690746

Cycloart-23z-ene-3beta,25-diol

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]+ 443.388346 210.5
[M+Na]+ 465.370288 214.8
[M-H]- 441.373794 213.2
[M+NH4]+ 460.414893 227.9
[M+K]+ 481.344228 210.6
[M+H-H2O]+ 425.378330 206.9
[M+HCOO]- 487.379271 209.3
[M+CH3COO]- 501.394921 232.6
[M+Na-2H]- 463.355736 209.4
[M]+ 442.38052142 208.8
[M]- 442.38161858 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.