| SpectraBase Spectrum ID |
DMUSCIGthOu |
| Name |
3-[13'-(2"-<.alpha.-Hydroxytridecyl>-tetrahydrofuran-2"'-yl)-13'-(8"-oxo-3",13"-dihydroxy)tridecyl]-5-methyl-2,5-dihydrofuran-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H62O7 |
| InChI |
InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-12-20-31(38)33-24-25-34(42-33)32(39)21-16-15-18-29(36)17-13-14-19-30(37)23-22-28-26-27(2)41-35(28)40/h26-27,30-34,37-39H,3-25H2,1-2H3/t27-,30?,31?,32?,33?,34?/m0/s1 |
| InChIKey |
KCAXYJVUOXXZQC-SHQOPOEXSA-N |
| Molecular Weight |
594.874 g/mol |
| SMILES |
OC(CCCCC(CCCCC(C1OC(C(O)CCCCCCCCCCCC)CC1)O)=O)CCC=1C(O[C@@](C)(C1)[H])=O |
| SPLASH |
splash10-056u-0011090000-5c3ee8f04063cac14b9f |
| Source of Spectrum |
G4-69-1293-2 |
| Synonyms |
Plagionicin A
(2S)-4-[3,13-dihydroxy-13-[5-(1-hydroxytridecyl)-2-oxolanyl]-8-oxotridecyl]-2-methyl-2H-furan-5-one
(2S)-4-[3,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one
(2S)-4-[3,13-dihydroxy-13-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]-8-oxo-tridecyl]-2-methyl-2H-furan-5-one
(2S)-4-[3,13-bis(oxidanyl)-8-oxidanylidene-13-[5-(1-oxidanyltridecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one |
| Wiley ID |
1694473 |
![3-[13'-(2"-<.alpha.-Hydroxytridecyl>-tetrahydrofuran-2"'-yl)-13'-(8"-oxo-3",13"-dihydroxy)tridecyl]-5-methyl-2,5-dihydrofuran-2-one](/api/spectrum/DMUSCIGthOu/structure.png?h=300&w=458 "3-[13'-(2\"-<.alpha.-Hydroxytridecyl>-tetrahydrofuran-2\"'-yl)-13'-(8\"-oxo-3\",13\"-dihydroxy)tridecyl]-5-methyl-2,5-dihydrofuran-2-one")
