| SpectraBase Compound ID | 4mvGEQP6VFZ |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28?,29?,30?,32?,33?,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | WKVZBLIEJQJTCN-DZCVNCQFSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C39H54O7 |
| Exact Mass | 634.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTEBneBjGTz |
|---|---|
| Name | 3-beta-(trans-P-COUMAROYLOXY)-2alpha,23-DIHYDROXYURS-12-EN-28-OIC ACID |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28?,29?,30?,32?,33?,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | WKVZBLIEJQJTCN-DZCVNCQFSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |