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1.beta.,3.alpha.,6.beta.-Triacetoxy-4.beta-hydroxy-eudesmane
SpectraBase Compound ID BoQWnJBapGK
InChI InChI=1S/C21H34O7/c1-11(2)15-8-9-20(6)16(26-12(3)22)10-17(27-13(4)23)21(7,25)19(20)18(15)28-14(5)24/h11,15-19,25H,8-10H2,1-7H3/t15-,16+,17+,18+,19?,20-,21-/m0/s1
InChIKey MRXWSDIJBTZEOV-LJCPVDRGSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H34O7
Exact Mass 398.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzNOyX9mvbs
Name 1.beta.,3.alpha.,6.beta.-Triacetoxy-4.beta-hydroxy-eudesmane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O7
InChI InChI=1S/C21H34O7/c1-11(2)15-8-9-20(6)16(26-12(3)22)10-17(27-13(4)23)21(7,25)19(20)18(15)28-14(5)24/h11,15-19,25H,8-10H2,1-7H3/t15-,16+,17+,18+,19?,20-,21-/m0/s1
InChIKey MRXWSDIJBTZEOV-LJCPVDRGSA-N
Molecular Weight 398.496 g/mol
SMILES O[C@@]1(C2[C@]([C@](OC(=O)C)(C[C@]1(OC(=O)C)[H])[H])(CC[C@]([C@]2(OC(=O)C)[H])(C(C)C)[H])C)C
SPLASH splash10-0zg0-0930000000-1e700e79c3561054742c
Source of Spectrum X2-51-482-16
Synonyms (1R,2R,4R,4aR,7S,8R)-4,8-bis(acetyloxy)-1-hydroxy-7-isopropyl-1,4a-dimethyldecahydro-2-naphthalenyl acetate 1.beta.,3.alpha.,6.beta.-Triacetoxy-4..beta.-hydroxy-eudesmane
Wiley ID 1602673