| SpectraBase Compound ID | B1mAVKoZzAz |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-17-9-11-27(5)13-14-29(7)19(23(27)18(17)2)15-20(31)24-28(6)16-21(32)25(33)26(3,4)22(28)10-12-30(24,29)8/h15,17-18,20-25,31-33H,9-14,16H2,1-8H3/t17-,18+,20-,21-,22?,23?,24?,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | URPWLNNLJSTPRZ-ZRRAMRJZSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4zU1GIB1ShI |
|---|---|
| Name | 2-alpha,3-beta,11-alpha-Trihydroxy-urs-12-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.375995467 u |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-17-9-11-27(5)13-14-29(7)19(23(27)18(17)2)15-20(31)24-28(6)16-21(32)25(33)26(3,4)22(28)10-12-30(24,29)8/h15,17-18,20-25,31-33H,9-14,16H2,1-8H3/t17-,18+,20-,21-,22?,23?,24?,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | URPWLNNLJSTPRZ-ZRRAMRJZSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@]1(O)(C[C@]2(C(C([C@]1(O)[H])(C)C)CC[C@]1(C)C2[C@](O)(C=C2[C@@]1(C)CC[C@]1(C)C2[C@@](C)([C@](C)(CC1)[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825763 |