| SpectraBase Spectrum ID |
FEvmBUAC2Jj |
| 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 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.215137716 u |
| 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 |
C1(C(O[C@@]2(C1[C@@](\C=C\(CC[C@@](C(C2)=C)(O)[H])C)(O)[H])[H])=O)CN(CCO)CCO |
![(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](/api/spectrum/FEvmBUAC2Jj/structure.png?h=300&w=458 "(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")
