| SpectraBase Compound ID | 7Ffw8BN3OuK |
|---|---|
| InChI | InChI=1S/C65H102O26/c1-10-13-20-27-40-28-23-17-15-14-16-18-24-29-42(67)85-56-49(74)51(36(7)80-64(56)90-55-47(72)44(69)35(6)78-63(55)82-40)88-65-58(87-60(77)34(5)12-3)57(91-61-48(73)46(71)45(70)41(32-66)83-61)53(38(9)81-65)89-62-50(75)54(52(37(8)79-62)86-59(76)33(4)11-2)84-43(68)31-30-39-25-21-19-22-26-39/h19,21-22,25-26,30-31,33-38,40-41,44-58,61-66,69-75H,10-18,20,23-24,27-29,32H2,1-9H3/b31-30+/t33-,34-,35-,36+,37-,38+,40+,41-,44+,45-,46+,47+,48-,49-,50+,51+,52-,53+,54-,55-,56-,57-,58-,61+,62-,63+,64+,65+/m0/s1 |
| InChIKey | VQKHMBBDKQRTPO-YBOHMFLYSA-N |
| Mol Weight | 1299.5 g/mol |
| Molecular Formula | C65H102O26 |
| Exact Mass | 1298.665933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZBHD3ns2dJ |
|---|---|
| Name | INTRAPILOSIN_I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H102O26 |
| InChI | InChI=1S/C65H102O26/c1-10-13-20-27-40-28-23-17-15-14-16-18-24-29-42(67)85-56-49(74)51(36(7)80-64(56)90-55-47(72)44(69)35(6)78-63(55)82-40)88-65-58(87-60(77)34(5)12-3)57(91-61-48(73)46(71)45(70)41(32-66)83-61)53(38(9)81-65)89-62-50(75)54(52(37(8)79-62)86-59(76)33(4)11-2)84-43(68)31-30-39-25-21-19-22-26-39/h19,21-22,25-26,30-31,33-38,40-41,44-58,61-66,69-75H,10-18,20,23-24,27-29,32H2,1-9H3/b31-30+/t33-,34-,35-,36+,37-,38+,40+,41-,44+,45-,46+,47+,48-,49-,50+,51+,52-,53+,54-,55-,56-,57-,58-,61+,62-,63+,64+,65+/m0/s1 |
| InChIKey | VQKHMBBDKQRTPO-YBOHMFLYSA-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 | 1299.509 g/mol |
| Sample ID | 30618 |
| Solvent | C5D5N |