| SpectraBase Compound ID | 1F8kFyPYWbN |
|---|---|
| InChI | InChI=1S/C88H144O43/c1-13-87(11,130-84-71(112)64(105)73(51(35-92)122-84)126-82-68(109)61(102)57(98)49(33-90)120-82)28-18-25-40(4)21-15-20-39(3)22-16-24-42(6)37-115-80-70(111)63(104)75(53(124-80)38-116-79-66(107)59(100)54(95)44(8)117-79)128-86-77(76(56(97)46(10)119-86)129-81-67(108)60(101)55(96)45(9)118-81)125-78(114)43(7)31-48(94)30-41(5)23-17-26-47(32-89)27-19-29-88(12,14-2)131-85-72(113)65(106)74(52(36-93)123-85)127-83-69(110)62(103)58(99)50(34-91)121-83/h13-14,20,23-25,27,31,44-46,48-77,79-86,89-113H,1-2,15-19,21-22,26,28-30,32-38H2,3-12H3/b39-20+,40-25+,41-23+,42-24-,43-31+,47-27-/t44-,45+,46+,48-,49-,50+,51+,52-,53-,54-,55+,56+,57-,58+,59+,60-,61+,62-,63-,64+,65-,66+,67-,68-,69+,70-,71+,72-,73+,74-,75-,76-,77-,79+,80-,81+,82+,83-,84-,85+,86+,87-,88-/m1/s1 |
| InChIKey | VNTBLKBBLRFBOP-PIRJSWMPSA-N |
| Mol Weight | 1890.1 g/mol |
| Molecular Formula | C88H144O43 |
| Exact Mass | 1888.908133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82UqZBTiat0 |
|---|---|
| Name | #2;HAB-4;CAPIONOSIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-6E,10E,14Z-(3S)-17-HYDROXY-GERANYLLINALOOL-17-O-[3-O-BETA-D-GLUCOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H144O43 |
| InChI | InChI=1S/C88H144O43/c1-13-87(11,130-84-71(112)64(105)73(51(35-92)122-84)126-82-68(109)61(102)57(98)49(33-90)120-82)28-18-25-40(4)21-15-20-39(3)22-16-24-42(6)37-115-80-70(111)63(104)75(53(124-80)38-116-79-66(107)59(100)54(95)44(8)117-79)128-86-77(76(56(97)46(10)119-86)129-81-67(108)60(101)55(96)45(9)118-81)125-78(114)43(7)31-48(94)30-41(5)23-17-26-47(32-89)27-19-29-88(12,14-2)131-85-72(113)65(106)74(52(36-93)123-85)127-83-69(110)62(103)58(99)50(34-91)121-83/h13-14,20,23-25,27,31,44-46,48-77,79-86,89-113H,1-2,15-19,21-22,26,28-30,32-38H2,3-12H3/b39-20+,40-25+,41-23+,42-24-,43-31+,47-27-/t44-,45+,46+,48-,49-,50+,51+,52-,53-,54-,55+,56+,57-,58+,59+,60-,61+,62-,63-,64+,65-,66+,67-,68-,69+,70-,71+,72-,73+,74-,75-,76-,77-,79+,80-,81+,82+,83-,84-,85+,86+,87-,88-/m1/s1 |
| InChIKey | VNTBLKBBLRFBOP-PIRJSWMPSA-N |
| Literature Reference Author | J.H.LEE,M.EL-AASR,T.IKEDA,K.ODA,H.MIYASHITA,H.YOSHIMITSU,M.O KAWA,J.KINJO,T.NOHAR |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,730(2009) |
| Literature Reference DOI | 10.1248/cpb.57.730 |
| Molecular Weight | 1890.086 g/mol |
| Sample ID | 2547 |
| Solvent | CD3OD |