| SpectraBase Spectrum ID |
51nAajoTOvW |
| Name |
(2S,3S,4aS,4bR,8S,10aR,10bS,12aS)-3-chloranyl-2,10a,12a-trimethyl-2,8-bis(oxidanyl)-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydrochrysen-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31ClO3 |
| InChI |
InChI=1S/C21H31ClO3/c1-19-8-6-13(23)10-12(19)4-5-14-15(19)7-9-20(2)16(14)11-17(22)21(3,25)18(20)24/h4,13-17,23,25H,5-11H2,1-3H3/t13-,14+,15-,16-,17-,19-,20-,21+/m0/s1 |
| InChIKey |
ATLKYGGCTVRMPV-MMIDEKFVSA-N |
| Molecular Weight |
366.929 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@](C([C@@]([C@](C4)(Cl)[H])(O)C)=O)(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH |
splash10-001i-0009000000-710037ecc9827ceadba1 |
| Source of Spectrum |
KC-57-7203-3 |
| Synonyms |
(2S,3S,4aS,4bR,8S,10aR,10bS,12aS)-3-chloro-2,8-dihydroxy-2,10a,12a-trimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydrochrysen-1-one |
| Wiley ID |
1625395 |
