| SpectraBase Compound ID | IMM93tWYK7N |
|---|---|
| InChI | InChI=1S/C72H116O26/c1-9-12-14-15-16-17-20-23-31-37-50(75)93-66-65(98-68-56(81)54(79)53(78)48(40-73)90-68)61(96-69-58(83)62(60(44(7)86-69)94-67(84)41(4)11-3)91-51(76)39-38-46-32-27-25-28-33-46)45(8)88-72(66)95-59-43(6)87-71-64(57(59)82)92-49(74)36-30-24-21-18-19-22-29-35-47(34-26-13-10-2)89-70-63(97-71)55(80)52(77)42(5)85-70/h25,27-28,32-33,38-39,41-45,47-48,52-66,68-73,77-83H,9-24,26,29-31,34-37,40H2,1-8H3/b39-38+/t41-,42+,43-,44+,45-,47-,48+,52-,53+,54-,55-,56+,57+,58-,59-,60+,61-,62+,63+,64+,65+,66+,68-,69+,70-,71-,72-/m1/s1 |
| InChIKey | VDPKEPJPLZKSLZ-RWUXTBFCSA-N |
| Mol Weight | 1397.7 g/mol |
| Molecular Formula | C72H116O26 |
| Exact Mass | 1396.775484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3SBFJtMJ9p |
|---|---|
| Name | INTRAPILOSIN_IV |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O26 |
| InChI | InChI=1S/C72H116O26/c1-9-12-14-15-16-17-20-23-31-37-50(75)93-66-65(98-68-56(81)54(79)53(78)48(40-73)90-68)61(96-69-58(83)62(60(44(7)86-69)94-67(84)41(4)11-3)91-51(76)39-38-46-32-27-25-28-33-46)45(8)88-72(66)95-59-43(6)87-71-64(57(59)82)92-49(74)36-30-24-21-18-19-22-29-35-47(34-26-13-10-2)89-70-63(97-71)55(80)52(77)42(5)85-70/h25,27-28,32-33,38-39,41-45,47-48,52-66,68-73,77-83H,9-24,26,29-31,34-37,40H2,1-8H3/b39-38+/t41-,42+,43-,44+,45-,47-,48+,52-,53+,54-,55-,56+,57+,58-,59-,60+,61-,62+,63+,64+,65+,66+,68-,69+,70-,71-,72-/m1/s1 |
| InChIKey | VDPKEPJPLZKSLZ-RWUXTBFCSA-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 | 1397.697 g/mol |
| Sample ID | 30621 |
| Solvent | C5D5N |