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3.beta.,15.beta.,16,18-Tetaacetoxy-ent-ros-5-ene
SpectraBase Compound ID 1yrbIkc8gdv
InChI InChI=1S/C28H42O8/c1-17(29)33-15-25(36-20(4)32)26(5)12-13-27(6)21(14-26)8-9-23-22(27)10-11-24(35-19(3)31)28(23,7)16-34-18(2)30/h9,21-22,24-25H,8,10-16H2,1-7H3/t21-,22-,24+,25?,26-,27-,28+/m1/s1
InChIKey JPJCGILJSBASIX-UEUWRWPCSA-N
Mol Weight 506.6 g/mol
Molecular Formula C28H42O8
Exact Mass 506.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PQEpVBSOfW
Name 3.beta.,15.beta.,16,18-tetaacetoxy-ent-ros-5-ene
CAS Registry Number 119769-61-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O8
InChI InChI=1S/C28H42O8/c1-17(29)33-15-25(36-20(4)32)26(5)12-13-27(6)21(14-26)8-9-23-22(27)10-11-24(35-19(3)31)28(23,7)16-34-18(2)30/h9,21-22,24-25H,8,10-16H2,1-7H3/t21-,22-,24+,25?,26-,27-,28+/m1/s1
InChIKey JPJCGILJSBASIX-UEUWRWPCSA-N
Molecular Weight 506.636 g/mol
SMILES C1=2[C@@]([C@@](OC(=O)C)(CC[C@]1([C@@]1(CC[C@](C[C@]1(CC2)[H])(C(OC(=O)C)COC(=O)C)C)C)[H])[H])(COC(=O)C)C
SPLASH splash10-11ps-0946100000-668ed707b12a49d2fe44
Source of Spectrum J-54-4524-11
Synonyms (3beta,4beta,15S)-15,16,18-tris(acetyloxy)ros-5-en-3-yl acetate
Wiley ID 1399861