| SpectraBase Compound ID | ESc2p1X36Rr |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-18(2)7-12-27(31)19(3)24-10-11-25-23-9-8-21-17-22(32-20(4)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h7,9,12,18-19,21-22,24-27,31H,8,10-11,13-17H2,1-6H3/b12-7-/t19-,21-,22-,24+,25-,26-,27+,28-,29+/m0/s1 |
| InChIKey | BMLJGIALJZUXTI-XBOPIBKTSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 782ccM1Boqn |
|---|---|
| Name | (23Z,22R)-3.beta.-Acetoxy-5.alpha.-cholesta-7,23-dien-22-ol |
| Alternate Name(s) | (3beta,5alpha,22R,23Z)-22-hydroxycholesta-7,23-dien-3-yl acetate |
| CAS Registry Number | 76282-35-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-18(2)7-12-27(31)19(3)24-10-11-25-23-9-8-21-17-22(32-20(4)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h7,9,12,18-19,21-22,24-27,31H,8,10-11,13-17H2,1-6H3/b12-7-/t19-,21-,22-,24+,25-,26-,27+,28-,29+/m0/s1 |
| InChIKey | BMLJGIALJZUXTI-XBOPIBKTSA-N |
| Molecular Weight | 442.684 g/mol |
| SMILES | O[C@](\C=C/C(C)C)([C@]([C@@]1([C@@]2([C@](C=3[C@@]([C@]4(CC[C@](OC(=O)C)(C[C@@]4(CC3)[H])[H])C)(CC2)[H])(CC1)[H])C)[H])(C)[H])[H] |
| SPLASH | splash10-000x-0059000000-28bf45b0722795d85dca |
| Source of Spectrum | J-46-1727-0 |
| Wiley ID | 1385516 |