| SpectraBase Compound ID | CgcYC5jKliK |
|---|---|
| InChI | InChI=1S/C71H114O26/c1-8-11-14-19-28-35-48(73)90-60-43(6)85-68(58(83)62(60)91-51(76)39-38-45-31-25-23-26-32-45)95-61-44(7)87-71(66(93-50(75)37-29-20-15-12-9-2)65(61)97-67-56(81)54(79)53(78)47(40-72)89-67)94-59-42(5)86-70-64(57(59)82)92-49(74)36-30-22-18-16-17-21-27-34-46(33-24-13-10-3)88-69-63(96-70)55(80)52(77)41(4)84-69/h23,25-26,31-32,38-39,41-44,46-47,52-72,77-83H,8-22,24,27-30,33-37,40H2,1-7H3/b39-38+/t41-,42+,43+,44+,46+,47-,52+,53-,54+,55+,56-,57-,58-,59+,60-,61+,62-,63-,64-,65-,66-,67+,68+,69+,70+,71+/m0/s1 |
| InChIKey | MUNARNBWPZIPLZ-XMCNAQOASA-N |
| Mol Weight | 1383.7 g/mol |
| Molecular Formula | C71H114O26 |
| Exact Mass | 1382.759834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ae3jkPaclN |
|---|---|
| Name | INTRAPILOSIN_III |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H114O26 |
| InChI | InChI=1S/C71H114O26/c1-8-11-14-19-28-35-48(73)90-60-43(6)85-68(58(83)62(60)91-51(76)39-38-45-31-25-23-26-32-45)95-61-44(7)87-71(66(93-50(75)37-29-20-15-12-9-2)65(61)97-67-56(81)54(79)53(78)47(40-72)89-67)94-59-42(5)86-70-64(57(59)82)92-49(74)36-30-22-18-16-17-21-27-34-46(33-24-13-10-3)88-69-63(96-70)55(80)52(77)41(4)84-69/h23,25-26,31-32,38-39,41-44,46-47,52-72,77-83H,8-22,24,27-30,33-37,40H2,1-7H3/b39-38+/t41-,42+,43+,44+,46+,47-,52+,53-,54+,55+,56-,57-,58-,59+,60-,61+,62-,63-,64-,65-,66-,67+,68+,69+,70+,71+/m0/s1 |
| InChIKey | MUNARNBWPZIPLZ-XMCNAQOASA-N |
| Literature Reference Author | M.BAH,L.CHERIGO,A.T.C.TAKETA,M.FRAGOSO-SERRANO,G.B.HAMMOND,R .PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,70,1153(2007) |
| Literature Reference DOI | 10.1021/np0701529 |
| Molecular Weight | 1383.671 g/mol |
| Sample ID | 30620 |
| Solvent | C5D5N |