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14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 11,12-diacetate, (2.alpha.,6.alpha.,11.alpha.,12.alpha.)-
SpectraBase Compound ID GlRjivfyGWe
InChI InChI=1S/C25H35NO7/c1-11-6-23-9-15(30)25(31)22(4)7-14(29)8-24(25)20(23)19(33-13(3)28)18(32-12(2)27)16(11)17(23)21(24)26(5)10-22/h14-21,29-31H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1
InChIKey HOFQQPFLSDAWGC-SFBQFSLQSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H35NO7
Exact Mass 461.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GC2CZ9tySEW
Name 14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 11,12-diacetate, (2.alpha.,6.alpha.,11.alpha.,12.alpha.)-
CAS Registry Number 60783-13-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO7
InChI InChI=1S/C25H35NO7/c1-11-6-23-9-15(30)25(31)22(4)7-14(29)8-24(25)20(23)19(33-13(3)28)18(32-12(2)27)16(11)17(23)21(24)26(5)10-22/h14-21,29-31H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1
InChIKey HOFQQPFLSDAWGC-SFBQFSLQSA-N
Molecular Weight 461.555 g/mol
SMILES O[C@]1(C[C@@]2(CN([C@@]3([C@]4([C@]5(C(C[C@]44[C@]([C@]3([C@@]2([C@](C4)(O)[H])O)C1)([C@@]([C@@]5(OC(=O)C)[H])(OC(=O)C)[H])[H])=C)[H])[H])[H])C)C)[H]
SPLASH splash10-0006-9310500000-bdecba8445b6321d82d8
Source of Spectrum B-29-1315-0
Synonyms 2H,7H-7,10-Ethano-7a,3,6a-[1]propanyl[3]ylidenepentaleno[1,2-b]azocine, 14,20-cycloveatchane-2,5,6,11,12-pentol deriv. (1R,3S,4S,5R,7S,9R,12S,13R,14R,15R,16S,17S)-15-(acetyloxy)-3,4,7-trihydroxy-9,11-dimethyl-19-methylene-11-azahexacyclo[12.3.2.0(1,13).0(4,9).0(5,12).0(5,17)]nonadec-16-yl acetate 11.alpha.,12.alpha.-diacetoxy-19,20-methylimino-14,20-cyclo-ent-kaur-16-ene-2.alpha.,5.beta.,6.alpha.,triol O,O-diacetylanopteryl alcohol
Wiley ID 1390783