CID 42608219

(-)-spongiane-15,16-diol

Structural Information

Molecular Formula
C20H34O3
SMILES
C[C@]12CCCC([C@@H]1CC[C@@]3(C2CC[C@@H]4[C@H]3[C@H](O[C@H]4O)O)C)(C)C
InChI
InChI=1S/C20H34O3/c1-18(2)9-5-10-19(3)13(18)8-11-20(4)14(19)7-6-12-15(20)17(22)23-16(12)21/h12-17,21-22H,5-11H2,1-4H3/t12-,13+,14?,15+,16-,17+,19+,20-/m1/s1
InChIKey
PEBMMHIALJNROU-LOCFQOHQSA-N
Compound name
(1R,3S,3aR,3bR,5aS,9aS,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 179.7
[M+Na]+ 345.24002 185.3
[M-H]- 321.24352 182.2
[M+NH4]+ 340.28462 202.3
[M+K]+ 361.21396 180.9
[M+H-H2O]+ 305.24806 174.6
[M+HCOO]- 367.24900 185.0
[M+CH3COO]- 381.26465 188.2
[M+Na-2H]- 343.22547 180.4
[M]+ 322.25025 173.2
[M]- 322.25135 173.2
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.