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(E)-(4R,9S,11aS)-3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-4,9-dihydroxy-6-methyl-10-methylene-3a,4,7,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
SpectraBase Compound ID HQ3RLPtVKXY
InChI InChI=1S/C19H31NO6/c1-12-3-4-15(23)13(2)10-17-18(16(24)9-12)14(19(25)26-17)11-20(5-7-21)6-8-22/h9,14-18,21-24H,2-8,10-11H2,1H3/b12-9+/t14?,15-,16+,17-,18?/m0/s1
InChIKey BSIGPLYLPGGOCT-RRYRUTQDSA-N
Mol Weight 369.46 g/mol
Molecular Formula C19H31NO6
Exact Mass 369.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5Wcfh5hlR7
Name (E)-(4R,9S,11aS)-3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-4,9-dihydroxy-6-methyl-10-methylene-3a,4,7,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
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Formula C19H31NO6
InChI InChI=1S/C19H31NO6/c1-12-3-4-15(23)13(2)10-17-18(16(24)9-12)14(19(25)26-17)11-20(5-7-21)6-8-22/h9,14-18,21-24H,2-8,10-11H2,1H3/b12-9+/t14?,15-,16+,17-,18?/m0/s1
InChIKey BSIGPLYLPGGOCT-RRYRUTQDSA-N
Molecular Weight 369.458 g/mol
SMILES O[C@]1(CC\C(=C\[C@](C2[C@@](OC(C2CN(CCO)CCO)=O)(CC1=C)[H])(O)[H])C)[H]
SPLASH splash10-000i-9003000000-59dc4f7d3a0f3b512f7a
Source of Spectrum X3-36-290-4
Synonyms 1,6-Dihydroxy-7.alpha.,11.alpha.(H),1.beta.,6.beta.,8.beta.(H)-4(5),10(14)-dien-13-(N,N-diethanolamino)-Germacr-8,12-olide (4R,5E,9S,11aS)-3-[[bis(2-hydroxyethyl)amino]methyl]-4,9-dihydroxy-6-methyl-10-methylidene-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one (4R,5E,9S,11aS)-3-[[bis(2-hydroxyethyl)amino]methyl]-6-methyl-10-methylidene-4,9-bis(oxidanyl)-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one
Wiley ID 1691826