| SpectraBase Spectrum ID |
2621ebDRrVL |
| Name |
Ptychantin I |
| Alternate Name(s) |
(1R,3R,4R,4aR,8aS)-4-((2R,3S)-2-acetoxy-3-hydroxy-3-methylpent-4-en-1-yl)-4a-(acetoxymethyl)-3,8,8-trimethyldecahydronaphthalene-1,3-diyl diacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44O9 |
| InChI |
InChI=1S/C28H44O9/c1-10-26(8,33)23(36-19(4)31)14-22-27(9,37-20(5)32)15-21(35-18(3)30)24-25(6,7)12-11-13-28(22,24)16-34-17(2)29/h10,21-24,33H,1,11-16H2,2-9H3/t21-,22+,23-,24+,26+,27-,28+/m1/s1 |
| InChIKey |
GTMYDTLSRDMOQX-HEZRANEXSA-N |
| Literature Reference DOI |
10.1002/jccs.200100039 |
| Molecular Weight |
524.651 g/mol |
| SMILES |
O[C@](C)([C@@](C[C@@]1([C@]2(CCCC([C@]2([H])[C@](OC(C)=O)(C[C@]1(OC(=O)C)C)[H])(C)C)COC(C)=O)[H])(OC(C)=O)[H])C=C |
| SPLASH |
splash10-002s-2940000000-a7f67b07731c2a118b33 |
| Source of Spectrum |
QA-48-246-7 |
| Wiley ID |
1795335 |
