SpectraBase Spectrum ID |
KFzEMPEpzpB |
Name |
Gammacerane-2,3,22-triol, 2,3-diacetate, (2.alpha.,3.beta.,8.alpha.,9.beta.,13.alpha.,14.beta.,17.alpha.,18.beta.,22.alpha.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
544.412774898 u |
Formula |
C34H56O5 |
InChI |
InChI=1S/C34H56O5/c1-20(35)38-23-19-32(8)24(30(5,6)28(23)39-21(2)36)14-16-34(10)26(32)12-11-25-31(7)18-17-29(3,4)27(37)22(31)13-15-33(25,34)9/h22-28,37H,11-19H2,1-10H3 |
InChIKey |
FYDTTZJJSDYSCC-UHFFFAOYSA-N |
Molecular Weight |
544.817 g/mol |
SMILES |
C12(C3C(C4(CCC5C(C4CC3)(CCC(C)(C)C5O)C)C)(C)CCC1C(C)(C)C(C(C2)OC(=O)C)OC(=O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881269 |