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Rolliniastatin

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Rolliniastatin
SpectraBase Compound ID FJLgZJrnYWB
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
InChIKey MBABCNBNDNGODA-UHFFFAOYSA-N
Mol Weight 622.9 g/mol
Molecular Formula C37H66O7
Exact Mass 622.480854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jjncFaRLj2
Name Rolliniastatin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H66O7
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
InChIKey MBABCNBNDNGODA-UHFFFAOYSA-N
Molecular Weight 622.928 g/mol
SMILES OC(CCCCCCCCCCC(C1OC(C2OC(C(O)CCCCCCCCCC)CC2)CC1)O)CC=1C(OC(C1)C)=O
SPLASH splash10-03di-0009000000-81f67c74d160b2a93311
Source of Spectrum X2-53-244-11
Synonyms 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one 4-[2,13-bis(oxidanyl)-13-[5-[5-(1-oxidanylundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Wiley ID 1603377