| SpectraBase Compound ID | Da0a4AzzkRW |
|---|---|
| InChI | InChI=1S/C74H116O28/c1-35-27-50(79-13)60(77)69(86-35)95-46-21-24-71(11)45(28-46)19-20-47-48(71)22-25-72(12)49(47)23-26-74(72,78)42(8)92-56-32-54-65(39(5)90-56)101-102-73(34-85-54)33-55(83-17)64(41(7)100-73)98-59-30-52(81-15)62(37(3)88-59)96-57-29-51(80-14)61(36(2)87-57)97-58-31-53(82-16)63(38(4)89-58)99-70-68(94-44(10)76)67(84-18)66(40(6)91-70)93-43(9)75/h19,27,35-42,46-49,51-59,61-70,78H,20-26,28-34H2,1-18H3/t35-,36-,37+,38+,39-,40-,41+,42-,46+,47-,48+,49+,51+,52-,53-,54-,55+,56+,57+,58-,59-,61-,62+,63+,64+,65-,66+,67+,68-,69+,70+,71+,72+,73-,74+/m1/s1 |
| InChIKey | FNQYFTZLDPHPJB-ZODQAHKESA-N |
| Mol Weight | 1453.7 g/mol |
| Molecular Formula | C74H116O28 |
| Exact Mass | 1452.765313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ACHUC5GOSH |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,17-ALPHA,20(S)-TRIOL-3-O-(4',6'-DIDEOXY-3'-O-METHYL-DELTA(3')-D-2'-HEXOSULOSIDE)-20-O-(2,4-O-DIACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H116O28 |
| InChI | InChI=1S/C74H116O28/c1-35-27-50(79-13)60(77)69(86-35)95-46-21-24-71(11)45(28-46)19-20-47-48(71)22-25-72(12)49(47)23-26-74(72,78)42(8)92-56-32-54-65(39(5)90-56)101-102-73(34-85-54)33-55(83-17)64(41(7)100-73)98-59-30-52(81-15)62(37(3)88-59)96-57-29-51(80-14)61(36(2)87-57)97-58-31-53(82-16)63(38(4)89-58)99-70-68(94-44(10)76)67(84-18)66(40(6)91-70)93-43(9)75/h19,27,35-42,46-49,51-59,61-70,78H,20-26,28-34H2,1-18H3/t35-,36-,37+,38+,39-,40-,41+,42-,46+,47-,48+,49+,51+,52-,53-,54-,55+,56+,57+,58-,59-,61-,62+,63+,64+,65-,66+,67+,68-,69+,70+,71+,72+,73-,74+/m1/s1 |
| InChIKey | FNQYFTZLDPHPJB-ZODQAHKESA-N |
| Literature Reference Author | H.ITOKAWA,J.XU,K.TAKEYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,36,2084(1988) |
| Literature Reference DOI | 10.1248/cpb.36.2084 |
| Molecular Weight | 1453.718 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1236 |