CID 6475706

7-oxa-2,2,4,4-tetrakis((2e)-3-phenylprop-2-enyl)bicyclo[3.3.0]octan-3-ol

Structural Information

Molecular Formula
C43H44O2
SMILES
C1OC[C@@H]2[C@@H]1C(C(C2(C/C=C/C3=CC=CC=C3)C/C=C/C4=CC=CC=C4)O)(C/C=C/C5=CC=CC=C5)C/C=C/C6=CC=CC=C6
InChI
InChI=1S/C43H44O2/c44-41-42(29-13-25-35-17-5-1-6-18-35,30-14-26-36-19-7-2-8-20-36)39-33-45-34-40(39)43(41,31-15-27-37-21-9-3-10-22-37)32-16-28-38-23-11-4-12-24-38/h1-28,39-41,44H,29-34H2/b25-13+,26-14+,27-15+,28-16+/t39-,40-/m1/s1
InChIKey
HUJAHCMEVILBAA-VOHUHAEWSA-N
Compound name
(3aR,6aR)-4,4,6,6-tetrakis[(E)-3-phenylprop-2-enyl]-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.3341 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.34138 256.7
[M+Na]+ 615.32332 258.2
[M-H]- 591.32682 269.5
[M+NH4]+ 610.36792 264.1
[M+K]+ 631.29726 247.0
[M+H-H2O]+ 575.33136 243.8
[M+HCOO]- 637.33230 270.1
[M+CH3COO]- 651.34795 260.2
[M+Na-2H]- 613.30877 248.8
[M]+ 592.33355 252.9
[M]- 592.33465 252.9
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.