| SpectraBase Compound ID | AbE7x8mTlBU |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-20(2)21(3)9-10-22(4)26-12-13-31(8)29-18-28(37-24(6)35)27-17-25(36-23(5)34)11-14-32(27)19-33(29,32)16-15-30(26,31)7/h20,22,25-29H,3,9-19H2,1-2,4-8H3/t22-,25+,26-,27-,28+,29?,30-,31+,32-,33+/m1/s1 |
| InChIKey | XAHLJUYMZUVMGH-UPVPXRRKSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WGnBL8xuew |
|---|---|
| Name | ROXBURGHADIOL-B-DIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-20(2)21(3)9-10-22(4)26-12-13-31(8)29-18-28(37-24(6)35)27-17-25(36-23(5)34)11-14-32(27)19-33(29,32)16-15-30(26,31)7/h20,22,25-29H,3,9-19H2,1-2,4-8H3/t22-,25+,26-,27-,28+,29?,30-,31+,32-,33+/m1/s1 |
| InChIKey | XAHLJUYMZUVMGH-UPVPXRRKSA-N |
| Literature Reference Author | K.BALAKRISHNA,A.B.KUNDU,A.PATRA |
| Literature Reference Citation | J.NAT.PROD.,53,523(1990) |
| Literature Reference DOI | 10.1021/np50068a044 |
| Molecular Weight | 512.773 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17112 |