| SpectraBase Spectrum ID |
8o9sI2I1qbW |
| Name |
3.beta.-hydroxy-22,23-dinor-5,7-choladienic acid methyl ester |
| Alternate Name(s) |
Methyl 2-[(2R,5S,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]propanoate |
| CAS Registry Number |
99518-39-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O3 |
| InChI |
InChI=1S/C23H34O3/c1-14(21(25)26-4)18-7-8-19-17-6-5-15-13-16(24)9-11-22(15,2)20(17)10-12-23(18,19)3/h5-6,14,16,18-20,24H,7-13H2,1-4H3/t14?,16-,18?,19?,20?,22-,23+/m0/s1 |
| InChIKey |
JWRMJERLLWQLPO-TXQYOOOLSA-N |
| Molecular Weight |
358.522 g/mol |
| SMILES |
O[C@@]1(CC2=CC=C3C4[C@](C(C(C(=O)OC)C)CC4)(C)CCC3[C@]2(CC1)C)[H] |
| SPLASH |
splash10-056v-0459000000-7a1ebb176aa68e5f6d62 |
| Source of Spectrum |
J-53-3453-10 |
| Wiley ID |
1347412 |
