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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.)-
SpectraBase Compound ID C8R8SAzdcJN
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
Mol Weight 544.8 g/mol
Molecular Formula C34H56O5
Exact Mass 544.412775 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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