| SpectraBase Compound ID | FtHD9iAwGPj |
|---|---|
| InChI | InChI=1S/C75H114O30/c1-15-36(2)67(83)97-42(8)73(85)27-28-75(87)71(73,10)51(100-52(78)22-21-43-19-17-16-18-20-43)33-50-70(9)24-23-44(34-72(70,84)25-26-74(50,75)86)98-54-30-46(88-11)63(38(4)93-54)102-56-32-48(90-13)64(40(6)95-56)103-55-31-47(89-12)62(39(5)94-55)101-53-29-45(77)61(37(3)92-53)104-69-60(82)66(91-14)65(41(7)96-69)105-68-59(81)58(80)57(79)49(35-76)99-68/h15-22,25-26,37-42,44-51,53-66,68-69,76-77,79-82,84-87H,23-24,27-35H2,1-14H3/b22-21+,36-15+/t37-,38+,39+,40-,41+,42-,44-,45-,46-,47+,48+,49-,50+,51+,53+,54-,55-,56+,57-,58+,59-,60+,61-,62+,63+,64-,65+,66-,68+,69-,70+,71+,72+,73+,74-,75+/m0/s1 |
| InChIKey | HVNVPBGWINHNKO-NOXVVXMYSA-N |
| Mol Weight | 1495.7 g/mol |
| Molecular Formula | C75H114O30 |
| Exact Mass | 1494.739492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FS2Rzvu8Gql |
|---|---|
| Name | GYMNEPREGOSIDE-Q;#11;12-O-(E)-CINNAMOYL-20-O-TIGLOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H114O30 |
| InChI | InChI=1S/C75H114O30/c1-15-36(2)67(83)97-42(8)73(85)27-28-75(87)71(73,10)51(100-52(78)22-21-43-19-17-16-18-20-43)33-50-70(9)24-23-44(34-72(70,84)25-26-74(50,75)86)98-54-30-46(88-11)63(38(4)93-54)102-56-32-48(90-13)64(40(6)95-56)103-55-31-47(89-12)62(39(5)94-55)101-53-29-45(77)61(37(3)92-53)104-69-60(82)66(91-14)65(41(7)96-69)105-68-59(81)58(80)57(79)49(35-76)99-68/h15-22,25-26,37-42,44-51,53-66,68-69,76-77,79-82,84-87H,23-24,27-35H2,1-14H3/b22-21+,36-15+/t37-,38+,39+,40-,41+,42-,44-,45-,46-,47+,48+,49-,50+,51+,53+,54-,55-,56+,57-,58+,59-,60+,61-,62+,63+,64-,65+,66-,68+,69-,70+,71+,72+,73+,74-,75+/m0/s1 |
| InChIKey | HVNVPBGWINHNKO-NOXVVXMYSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,K.TAKAHASHI,M.TANAKA,S.ARIHARA,H.C. CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,798(1999) |
| Literature Reference DOI | 10.1248/cpb.47.798 |
| Molecular Weight | 1495.712 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8040 |