CID 71658235

Perviridisinol b

Structural Information

Molecular Formula
C30H48O3
SMILES
CC(=C[C@@H]1[C@H]([C@@H](CO1)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O)C)C)O)C
InChI
InChI=1S/C30H48O3/c1-18(2)15-21-25(32)19(16-33-21)20-9-11-28(6)23-8-7-22-26(3,4)24(31)10-12-29(22)17-30(23,29)14-13-27(20,28)5/h15,19-25,31-32H,7-14,16-17H2,1-6H3/t19-,20+,21+,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1
InChIKey
XCEVATPMSVPKCQ-XFQKVXLTSA-N
Compound name
(2R,3S,4R)-4-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-(2-methylprop-1-enyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.36035 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.36763 205.1
[M+Na]+ 479.34957 210.2
[M-H]- 455.35307 211.7
[M+NH4]+ 474.39417 222.3
[M+K]+ 495.32351 206.6
[M+H-H2O]+ 439.35761 201.7
[M+HCOO]- 501.35855 203.7
[M+CH3COO]- 515.37420 211.1
[M+Na-2H]- 477.33502 200.5
[M]+ 456.35980 202.4
[M]- 456.36090 202.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.