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14.beta.,15.beta.-Epoxy-3.beta.-methoxyserratan-21.beta.-ol
SpectraBase Compound ID 4ySerSqyi6S
InChI InChI=1S/C31H52O3/c1-25(2)19-12-16-29(7)20(27(19,5)15-14-23(25)33-9)10-11-21-28(6)17-13-22(32)26(3,4)30(28,8)18-24-31(21,29)34-24/h19-24,32H,10-18H2,1-9H3/t19?,20?,21?,22-,23+,24-,27?,28?,29?,30?,31+/m1/s1
InChIKey ZGSBEYJDHSHKDH-MHJDOURNSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K2DtWUngLSG
Name 14.beta.,15.beta.-Epoxy-3.beta.-methoxyserratan-21.beta.-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.391645531 u
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-25(2)19-12-16-29(7)20(27(19,5)15-14-23(25)33-9)10-11-21-28(6)17-13-22(32)26(3,4)30(28,8)18-24-31(21,29)34-24/h19-24,32H,10-18H2,1-9H3/t19?,20?,21?,22-,23+,24-,27?,28?,29?,30?,31+/m1/s1
InChIKey ZGSBEYJDHSHKDH-MHJDOURNSA-N
Molecular Weight 472.754 g/mol
SMILES [C@@]123C4(C(C5(CC[C@@](C(C5CC4)(C)C)(OC)[H])C)CCC2C2(C(C([C@](O)(CC2)[H])(C)C)(C)C[C@]3(O1)[H])C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851711