SpectraBase Compound ID | F7LkXVZHa1g |
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InChI | InChI=1S/C20H32O5/c1-12-7-10-20(24)14(5-6-15(21)18(20,2)3)19(12,4)9-8-13-11-16(22)25-17(13)23/h11-12,14-15,17,21,23-24H,5-10H2,1-4H3/t12-,14-,15+,17+,19+,20-/m1/s1 |
InChIKey | YAGMCYJJNFHJLU-PGYBWPQXSA-N |
Mol Weight | 352.5 g/mol |
Molecular Formula | C20H32O5 |
Exact Mass | 352.224974 g/mol |
SpectraBase Spectrum ID | 5cAfQ1FaFrF |
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Name | 3.beta.,5.beta.,16.alpha-Trihydroxy-Halim-3(14)-en-15,16-olide |
Alternate Name(s) | 3.beta.,5.beta.,16..alpha.-Trihydroxy-Halim-3(14)-en-15,16-olide (2S)-3-[2-[(1S,2R,4aR,6S,8aR)-4a,6-dihydroxy-1,2,5,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one (2S)-3-[2-[(1S,2R,4aR,6S,8aR)-1,2,5,5-tetramethyl-4a,6-bis(oxidanyl)-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2-oxidanyl-2H-furan-5-one |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C20H32O5 |
InChI | InChI=1S/C20H32O5/c1-12-7-10-20(24)14(5-6-15(21)18(20,2)3)19(12,4)9-8-13-11-16(22)25-17(13)23/h11-12,14-15,17,21,23-24H,5-10H2,1-4H3/t12-,14-,15+,17+,19+,20-/m1/s1 |
InChIKey | YAGMCYJJNFHJLU-PGYBWPQXSA-N |
Molecular Weight | 352.471 g/mol |
SMILES | O[C@@]1(C([C@@]2([C@](CC1)([C@](CCC=1[C@](OC(C1)=O)(O)[H])(C)[C@@](CC2)(C)[H])[H])O)(C)C)[H] |
SPLASH | splash10-0a4l-9300000000-41419aeee4329ae289eb |
Source of Spectrum | G4-63-1478-1 |
Wiley ID | 1608678 |