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16,17-Secodammara-17(20),22-dien-16-oic acid, 3-(acetyloxy)-30-hydroxy-, .gamma.-lactone, (3.beta.,17E,22E)-
SpectraBase Compound ID KStPS3nC6Dq
InChI InChI=1S/C32H50O4/c1-21(2)10-9-11-22(3)18-24-12-13-26-30(7)16-15-27(36-23(4)33)29(5,6)25(30)14-17-31(26,8)32(24)19-28(34)35-20-32/h9,11,18,21,24-27H,10,12-17,19-20H2,1-8H3/b11-9+,22-18+/t24-,25?,26?,27-,30-,31+,32?/m0/s1
InChIKey PFSSTRIQNGWQIM-SSAKQXSDSA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H50O4
Exact Mass 498.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnB3j3hmPJZ
Name 16,17-Secodammara-17(20),22-dien-16-oic acid, 3-(acetyloxy)-30-hydroxy-, .gamma.-lactone, (3.beta.,17E,22E)-
CAS Registry Number 75808-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O4
InChI InChI=1S/C32H50O4/c1-21(2)10-9-11-22(3)18-24-12-13-26-30(7)16-15-27(36-23(4)33)29(5,6)25(30)14-17-31(26,8)32(24)19-28(34)35-20-32/h9,11,18,21,24-27H,10,12-17,19-20H2,1-8H3/b11-9+,22-18+/t24-,25?,26?,27-,30-,31+,32?/m0/s1
InChIKey PFSSTRIQNGWQIM-SSAKQXSDSA-N
Molecular Weight 498.748 g/mol
SMILES [C@@]12(C3([C@](\C=C\(\C=C\CC(C)C)C)(CCC1[C@]1(CC[C@@](C(C1CC2)(C)C)(OC(=O)C)[H])C)[H])COC(C3)=O)C
SPLASH splash10-0229-0900000000-94aad560bd68d8b3b06e
Source of Spectrum B-33-2084-0
Synonyms (2'S,4'bR,7'S,10'aR)-2'-[(1E,3E)-2,6-dimethylhepta-1,3-dien-1-yl]-4'b,8',8',10'a-tetramethyl-5-oxo-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-7'-yl acetate Acetyl-24,25-dihydroebelin lactone Spiro[furan-3(2H),1'(2'H)-phenanthrene], 16,17-secodammara-17(20),22-dien-16-oic acid deriv.
Wiley ID 1398652