| SpectraBase Spectrum ID |
483vDP83cqx |
| Name |
29,30-Dinorgammacerane-2,3,22-triol, 21,21-dimethyl-, (2.alpha.,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 |
460.391645531 u |
| Formula |
C30H52O3 |
| InChI |
InChI=1S/C30H52O3/c1-25(2)15-16-27(5)18(23(25)32)11-13-29(7)21(27)9-10-22-28(6)17-19(31)24(33)26(3,4)20(28)12-14-30(22,29)8/h18-24,31-33H,9-17H2,1-8H3 |
| InChIKey |
UDYWSIQCDWKDPW-UHFFFAOYSA-N |
| Molecular Weight |
460.743 g/mol |
| SMILES |
C12(C)C3(C)C(C4(C)C(CC3)C(O)C(CC4)(C)C)CCC2C2(C)C(CC1)C(C)(C)C(C(C2)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908159 |
