| SpectraBase Spectrum ID |
AgtpGSURkMO |
| Name |
3.alpha.-Acetoxy-Gammaceran-21-one |
| Alternate Name(s) |
(5alpha,8beta,9alpha,10beta,13beta,14alpha,17beta,18alpha,21beta)-3-oxogammaceran-21-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H52O3 |
| InChI |
InChI=1S/C32H52O3/c1-20(33)35-26-15-17-30(7)22(28(26,4)5)13-19-32(9)24(30)11-10-23-29(6)16-14-25(34)27(2,3)21(29)12-18-31(23,32)8/h21-24,26H,10-19H2,1-9H3/t21-,22-,23+,24+,26+,29-,30-,31+,32+/m0/s1 |
| InChIKey |
HQLYWXFVTPVCNF-XPJCPMKKSA-N |
| Molecular Weight |
484.765 g/mol |
| SMILES |
[C@@]12([C@]3([C@]([C@]4(CCC(C([C@@]4(CC3)[H])(C)C)=O)C)([H])CC[C@@]1([C@]1(CC[C@](C([C@@]1(CC2)[H])(C)C)(OC(=O)C)[H])C)[H])C)C |
| SPLASH |
splash10-000i-0960200000-b63b8a70caee006f6cdf |
| Source of Spectrum |
X2-57-765-3 |
| Wiley ID |
1605426 |
