![L-2-[(Benzyloxycarbonyl)amino]-4-(17-.beta.-acetyloxyandrost-2-en-3-yl)but-3-enoic acid](/api/spectrum/I0VgiGKbHm7/structure.png?h=300&w=458 "L-2-[(Benzyloxycarbonyl)amino]-4-(17-.beta.-acetyloxyandrost-2-en-3-yl)but-3-enoic acid")
| SpectraBase Compound ID | CUfUgI5Z1fo |
|---|---|
| InChI | InChI=1S/C33H43NO6/c1-21(35)40-29-14-12-26-25-11-10-24-19-22(15-17-32(24,2)27(25)16-18-33(26,29)3)9-13-28(30(36)37)34-31(38)39-20-23-7-5-4-6-8-23/h4-9,13,15,24-29H,10-12,14,16-20H2,1-3H3,(H,34,38)(H,36,37)/b13-9+/t24?,25?,26?,27?,28-,29-,32-,33-/m0/s1 |
| InChIKey | YAJBVVVVYKWFCM-QRYZNUMCSA-N |
| Mol Weight | 549.7 g/mol |
| Molecular Formula | C33H43NO6 |
| Exact Mass | 549.309038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I0VgiGKbHm7 |
|---|---|
| Name | L-2-[(Benzyloxycarbonyl)amino]-4-(17-.beta.-acetyloxyandrost-2-en-3-yl)but-3-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H43NO6 |
| InChI | InChI=1S/C33H43NO6/c1-21(35)40-29-14-12-26-25-11-10-24-19-22(15-17-32(24,2)27(25)16-18-33(26,29)3)9-13-28(30(36)37)34-31(38)39-20-23-7-5-4-6-8-23/h4-9,13,15,24-29H,10-12,14,16-20H2,1-3H3,(H,34,38)(H,36,37)/b13-9+/t24?,25?,26?,27?,28-,29-,32-,33-/m0/s1 |
| InChIKey | YAJBVVVVYKWFCM-QRYZNUMCSA-N |
| Molecular Weight | 549.708 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)[C@](C(=O)O)(\C=C\C1=CC[C@@]2(C3C(C4CC[C@@]([C@]4(CC3)C)(OC(=O)C)[H])CCC2C1)C)[H] |
| SPLASH | splash10-0a4u-9700000000-c4cc0b29333770c7c5fc |
| Source of Spectrum | F-48-3551-6 |
| Synonyms | (2S,3E)-4-[(17beta)-17-(acetyloxy)androst-2-en-3-yl]-2-{[(benzyloxy)carbonyl]amino}-3-butenoic acid |
| Wiley ID | 1405595 |