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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-(BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPY

View entire compound with spectra: 1 NMR

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-(BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPY
SpectraBase Compound ID BSejKTvHtXW
InChI InChI=1S/C70H112O26/c1-33-25-46(75-11)57(72)65(82-33)89-42-19-22-67(9)41(26-42)17-18-43-44(67)20-23-68(10)45(43)21-24-70(68,74)40(8)88-52-30-50-63(38(6)86-52)95-96-69(32-81-50)31-51(79-15)62(39(7)94-69)92-55-28-48(77-13)60(36(4)84-55)90-53-27-47(76-12)59(35(3)83-53)91-54-29-49(78-14)61(37(5)85-54)93-66-58(73)64(80-16)56(71)34(2)87-66/h17,25,33-40,42-45,47-56,58-66,71,73-74H,18-24,26-32H2,1-16H3/t33?,34-,35-,36+,37+,38-,39+,40?,42+,43-,44+,45+,47+,48-,49-,50+,51+,52+,53+,54-,55-,56+,58-,59-,60+,61+,62+,63+,64+,65?,66+,67+,68+,69-,70+/m1/s1
InChIKey FKEFEVSJQJDJAJ-POQNHJNTSA-N
Mol Weight 1369.6 g/mol
Molecular Formula C70H112O26
Exact Mass 1368.744184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53SQisYatw5
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-(BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H112O26
InChI InChI=1S/C70H112O26/c1-33-25-46(75-11)57(72)65(82-33)89-42-19-22-67(9)41(26-42)17-18-43-44(67)20-23-68(10)45(43)21-24-70(68,74)40(8)88-52-30-50-63(38(6)86-52)95-96-69(32-81-50)31-51(79-15)62(39(7)94-69)92-55-28-48(77-13)60(36(4)84-55)90-53-27-47(76-12)59(35(3)83-53)91-54-29-49(78-14)61(37(5)85-54)93-66-58(73)64(80-16)56(71)34(2)87-66/h17,25,33-40,42-45,47-56,58-66,71,73-74H,18-24,26-32H2,1-16H3/t33?,34-,35-,36+,37+,38-,39+,40?,42+,43-,44+,45+,47+,48-,49-,50+,51+,52+,53+,54-,55-,56+,58-,59-,60+,61+,62+,63+,64+,65?,66+,67+,68+,69-,70+/m1/s1
InChIKey FKEFEVSJQJDJAJ-POQNHJNTSA-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 1369.644 g/mol
Solvent CDCl3
Source File Reference UWBK1234