| SpectraBase Compound ID | I4vfldAN9j7 |
|---|---|
| InChI | InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30?,31-,32+,34+,36+,37?,38-,39-,40+/m1/s1 |
| InChIKey | VXDVEQQZHDXFGF-XTGBFCNFSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C40H56O7 |
| Exact Mass | 648.402604 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B4zSc3DZH2r |
|---|---|
| Name | 3.beta.-Hydroxy-24-(trans)-ferulyloxy-urs-12-en-28-oic Acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O7 |
| InChI | InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30?,31-,32+,34+,36+,37?,38-,39-,40+/m1/s1 |
| InChIKey | VXDVEQQZHDXFGF-XTGBFCNFSA-N |
| Molecular Weight | 648.881 g/mol |
| SMILES | Oc1c(cc(\C=C\C(OCC2(C3CC[C@]4([C@]5(C(=CC[C@@]4([C@]3(CC[C@@]2(O)[H])C)[H])[C@]2([C@@](CC5)(CC[C@]([C@@]2(C)[H])(C)[H])C(=O)O)[H])C)C)C)=O)cc1)OC |
| SPLASH | splash10-004i-0920000000-ea78c04e2c360f0e01af |
| Source of Spectrum | X2-50-71-2 |
| Synonyms | 3.beta.-Hydroxy-24-(cis)-ferulyloxy-urs-12-en-28-oic Acid (3beta,9alpha)-3-hydroxy-23-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}urs-12-en-28-oic acid |
| Wiley ID | 1602146 |