| SpectraBase Compound ID | 9Xl5k9Z1Zr7 |
|---|---|
| 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(94-67(84)41(4)11-3)60(44(7)86-69)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+/m0/s1 |
| InChIKey | LVAPWVWFXWNIBF-VLJGSYJTSA-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 | IBE3Uc4xwRp |
|---|---|
| Name | INTRAPILOSIN_VI |
| Compound Number | 6 |
| 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(94-67(84)41(4)11-3)60(44(7)86-69)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+/m0/s1 |
| InChIKey | LVAPWVWFXWNIBF-VLJGSYJTSA-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 | 30623 |
| Solvent | C5D5N |