| SpectraBase Compound ID | IRSr99B1Koo |
|---|---|
| InChI | InChI=1S/C38H60O8/c1-21(2)22(3)10-11-24(33(43)46-34-32(42)31(41)28(40)20-44-34)25-14-18-38(9)27-12-13-29-35(5,6)30(45-23(4)39)16-17-36(29,7)26(27)15-19-37(25,38)8/h21,24-25,28-32,34,40-42H,3,10-20H2,1-2,4-9H3/t24-,25+,28+,29-,30+,31-,32+,34-,36+,37+,38-/m0/s1 |
| InChIKey | XLFNYXBDIFFFJX-CCVAFPDCSA-N |
| Mol Weight | 644.9 g/mol |
| Molecular Formula | C38H60O8 |
| Exact Mass | 644.428819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHm09yhHAma |
|---|---|
| Name | FOMITOSIDE-G;3-ALPHA-ACETOXYLANOST-8,24(31)-DIEN-21-OIC-ACID-21-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O8 |
| InChI | InChI=1S/C38H60O8/c1-21(2)22(3)10-11-24(33(43)46-34-32(42)31(41)28(40)20-44-34)25-14-18-38(9)27-12-13-29-35(5,6)30(45-23(4)39)16-17-36(29,7)26(27)15-19-37(25,38)8/h21,24-25,28-32,34,40-42H,3,10-20H2,1-2,4-9H3/t24-,25+,28+,29-,30+,31-,32+,34-,36+,37+,38-/m0/s1 |
| InChIKey | XLFNYXBDIFFFJX-CCVAFPDCSA-N |
| Literature Reference Author | K.YOSHIKAWA,M.INOUE,Y.MATSUMOTO,C.SAKAKIBARA,H.MIYATAKA,H.MA TSUMOTO,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,68,69(2005) |
| Literature Reference DOI | 10.1021/np040130b |
| Molecular Weight | 644.890 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8436 |