| SpectraBase Compound ID | GVzbhZeLrJP |
|---|---|
| InChI | InChI=1S/C63H94O22/c1-14-33(2)56(67)80-38(7)61(69)26-27-63(71)59(61,9)45(82-46(64)21-20-39-18-16-15-17-19-39)31-44-58(8)23-22-40(32-60(58,68)24-25-62(44,63)70)81-47-28-41(72-10)52(35(4)76-47)83-48-29-42(73-11)53(36(5)77-48)84-49-30-43(74-12)54(37(6)78-49)85-57-51(66)55(75-13)50(65)34(3)79-57/h14-21,24-25,34-38,40-45,47-55,57,65-66,68-71H,22-23,26-32H2,1-13H3/b21-20+,33-14+/t34-,35+,36-,37+,38?,40-,41-,42+,43+,44?,45+,47-,48+,49-,50-,51-,52+,53-,54+,55+,57+,58+,59+,60+,61+,62-,63+/m0/s1 |
| InChIKey | MJCJBEOEBGINOT-JASLQSJWSA-N |
| Mol Weight | 1203.4 g/mol |
| Molecular Formula | C63H94O22 |
| Exact Mass | 1202.623675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNg8HKLadq7 |
|---|---|
| Name | #7;12-O-CINNAMOYL-20-O-E-2-METHYL-2-BUTENOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTOL-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O22 |
| InChI | InChI=1S/C63H94O22/c1-14-33(2)56(67)80-38(7)61(69)26-27-63(71)59(61,9)45(82-46(64)21-20-39-18-16-15-17-19-39)31-44-58(8)23-22-40(32-60(58,68)24-25-62(44,63)70)81-47-28-41(72-10)52(35(4)76-47)83-48-29-42(73-11)53(36(5)77-48)84-49-30-43(74-12)54(37(6)78-49)85-57-51(66)55(75-13)50(65)34(3)79-57/h14-21,24-25,34-38,40-45,47-55,57,65-66,68-71H,22-23,26-32H2,1-13H3/b21-20+,33-14+/t34-,35+,36-,37+,38?,40-,41-,42+,43+,44?,45+,47-,48+,49-,50-,51-,52+,53-,54+,55+,57+,58+,59+,60+,61+,62-,63+/m0/s1 |
| InChIKey | MJCJBEOEBGINOT-JASLQSJWSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1239(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1239 |
| Molecular Weight | 1203.426 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20374 |