| SpectraBase Compound ID | L8rt1qhKA8n |
|---|---|
| InChI | InChI=1S/C73H104O32/c1-31-20-25-73(87-28-31)32(2)54-51(105-73)27-50-48-19-18-46-26-47(21-23-71(46,16)49(48)22-24-72(50,54)17)99-69-66(104-68-64(97-44(14)83)60(94-41(11)80)56(34(4)89-68)91-38(8)77)61(95-42(12)81)58(53(100-69)30-86-36(6)75)102-70-65(98-45(15)84)62(57(92-39(9)78)52(101-70)29-85-35(5)74)103-67-63(96-43(13)82)59(93-40(10)79)55(33(3)88-67)90-37(7)76/h18,31-34,47-70H,19-30H2,1-17H3/t31-,32+,33-,34-,47+,48-,49+,50+,51+,52+,53-,54+,55-,56-,57+,58-,59+,60+,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71+,72+,73-/m1/s1 |
| InChIKey | SCNBQHGJJHMZPO-WNROZYGTSA-N |
| Mol Weight | 1493.6 g/mol |
| Molecular Formula | C73H104O32 |
| Exact Mass | 1492.651071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AM6ZjJcxMsR |
|---|---|
| Name | BALANITIN-5-UNDECAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H104O32 |
| InChI | InChI=1S/C73H104O32/c1-31-20-25-73(87-28-31)32(2)54-51(105-73)27-50-48-19-18-46-26-47(21-23-71(46,16)49(48)22-24-72(50,54)17)99-69-66(104-68-64(97-44(14)83)60(94-41(11)80)56(34(4)89-68)91-38(8)77)61(95-42(12)81)58(53(100-69)30-86-36(6)75)102-70-65(98-45(15)84)62(57(92-39(9)78)52(101-70)29-85-35(5)74)103-67-63(96-43(13)82)59(93-40(10)79)55(33(3)88-67)90-37(7)76/h18,31-34,47-70H,19-30H2,1-17H3/t31-,32+,33-,34-,47+,48-,49+,50+,51+,52+,53-,54+,55-,56-,57+,58-,59+,60+,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71+,72+,73-/m1/s1 |
| InChIKey | SCNBQHGJJHMZPO-WNROZYGTSA-N |
| Literature Reference Author | G.R.PETTIT,D.L.DOUBEK,D.L.HERALD,A.NUMATA,C.TAKAHASHI,R.FUJI KI,T.MIYAMOTO |
| Literature Reference Citation | J.NAT.PROD.,54,1491(1991) |
| Literature Reference DOI | 10.1021/np50078a002 |
| Molecular Weight | 1493.610 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED18160 |