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Acetic acid, (8-formyldodecahydro-7,10-dihydroxy-1,4b,8-trimethyl-2(1H)-phenanthre nylidene)-, [1R-(1.alpha.,2E,4a.alpha.,4b.beta.,7.beta.,8.beta.,8a.alpha.,10.beta.,10a.beta.)]-
SpectraBase Compound ID 1htLNPtVviz
InChI InChI=1S/C20H30O5/c1-11-12(8-17(24)25)4-5-13-18(11)14(22)9-15-19(13,2)7-6-16(23)20(15,3)10-21/h8,10-11,13-16,18,22-23H,4-7,9H2,1-3H3,(H,24,25)/b12-8+/t11-,13+,14+,15-,16+,18+,19-,20+/m0/s1
InChIKey MBTKATUYHHDMDG-KNJCLQBXSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ugvHow5bc0
Name Acetic acid, (8-formyldodecahydro-7,10-dihydroxy-1,4b,8-trimethyl-2(1H)-phenanthre nylidene)-, [1R-(1.alpha.,2E,4a.alpha.,4b.beta.,7.beta.,8.beta.,8a.alpha.,10.beta.,10a.beta.)]-
CAS Registry Number 55729-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-11-12(8-17(24)25)4-5-13-18(11)14(22)9-15-19(13,2)7-6-16(23)20(15,3)10-21/h8,10-11,13-16,18,22-23H,4-7,9H2,1-3H3,(H,24,25)/b12-8+/t11-,13+,14+,15-,16+,18+,19-,20+/m0/s1
InChIKey MBTKATUYHHDMDG-KNJCLQBXSA-N
Molecular Weight 350.455 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@]3([C@]([C@@](C2)(O)[H])([C@](\C(CC3)=C/C(=O)O)(C)[H])[H])[H])(CC1)C)[H])(C=O)C)[H]
SPLASH splash10-0a4j-4945000000-4ddccfecc827b4407422
Source of Spectrum B-28-655-0
Synonyms (2E)-[(3alpha,4alpha,5beta,7alpha,8alpha,9beta,10alpha,14alpha)-3,7-dihydroxy-14-methyl-15-oxopodocarpan-13-ylidene]ethanoic acid Erthrostachaldic acid Erythrostachaldic acid
Wiley ID 1342000