| SpectraBase Spectrum ID |
JzqYuGCE5Eb |
| Name |
26,27-Dinorergosta-5,23-dien-3-ol, acetate, (3.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.334130655 u |
| Formula |
C28H44O2 |
| InChI |
InChI=1S/C28H44O2/c1-18(2)7-8-19(3)24-11-12-25-23-10-9-21-17-22(30-20(4)29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,19,22-26H,8,10-17H2,1-6H3 |
| InChIKey |
RHYCCBLFSVLDCA-UHFFFAOYSA-N |
| Molecular Weight |
412.658 g/mol |
| SMILES |
[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CC=C(C)C)[H])[H])[H])C)[H])[H])C)(OC(C)=O)[H] |
