| SpectraBase Spectrum ID |
9YEeOPBRY1N |
| Name |
29,30-Dinorgammacerane-3,22-diol, 21,21-dimethyl-, diacetate, (3.beta.,8.alpha.,9.beta.,13.alpha.,14.beta.,17.alpha.,18.beta.,22.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.417860279 u |
| Formula |
C34H56O4 |
| InChI |
InChI=1S/C34H56O4/c1-21(35)37-27-15-16-32(8)24(30(27,5)6)14-18-34(10)26(32)12-11-25-31(7)20-19-29(3,4)28(38-22(2)36)23(31)13-17-33(25,34)9/h23-28H,11-20H2,1-10H3 |
| InChIKey |
CLQNVQHFNHHVRX-UHFFFAOYSA-N |
| Molecular Weight |
528.818 g/mol |
| SMILES |
C12(C)C(C3(C)C(CC2)C(C)(C)C(CC3)OC(C)=O)CCC2C1(C)CCC1C2(C)CCC(C1OC(C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865165 |
