| SpectraBase Compound ID | 9Y7dJYk64rp |
|---|---|
| InChI | InChI=1S/C37H53IO2/c1-22(2)24(4)37(7)21-33(37)23(3)30-14-15-31-29-13-10-26-20-28(40-34(39)25-8-11-27(38)12-9-25)16-18-35(26,5)32(29)17-19-36(30,31)6/h8-9,11-13,22-24,26,28,30-33H,10,14-21H2,1-7H3 |
| InChIKey | GSLOTNJTVAURDQ-UHFFFAOYSA-N |
| Mol Weight | 656.7 g/mol |
| Molecular Formula | C37H53IO2 |
| Exact Mass | 656.309026 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fn1H7VgFyEZ |
|---|---|
| Name | Gorgost-7-en-3-ol, 4-iodobenzoate, (3.beta.,5.alpha.)- |
| CAS Registry Number | 56362-46-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H53IO2 |
| InChI | InChI=1S/C37H53IO2/c1-22(2)24(4)37(7)21-33(37)23(3)30-14-15-31-29-13-10-26-20-28(40-34(39)25-8-11-27(38)12-9-25)16-18-35(26,5)32(29)17-19-36(30,31)6/h8-9,11-13,22-24,26,28,30-33H,10,14-21H2,1-7H3 |
| InChIKey | GSLOTNJTVAURDQ-UHFFFAOYSA-N |
| Molecular Weight | 656.733 g/mol |
| SMILES | CC(C)C(C)C1(C)CC1C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC(c1ccc(cc1)I)=O |
| SPLASH | splash10-0udi-7940071000-a0e5c1c4070f847f9a62 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Gorgost-7-en-3-yl 4-iodobenzoate 4-iodobenzoic acid [10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-iodobenzoate [17-[1-[2-(1,2-dimethylpropyl)-2-methyl-cyclopropyl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-iodobenzoate [10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-iodanylbenzoate |
| Wiley ID | 1413376 |