| SpectraBase Spectrum ID |
Kcc0sLeqt3s |
| Name |
Chlorogenin |
| CAS Registry Number |
562-34-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3 |
| InChIKey |
PZNPHSFXILSZTM-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
OC1C2CC(CCC2(C2CCC3(C4C(C5(OC4CC3C2C1)CCC(C)CO5)C)C)C)O |
| SPLASH |
splash10-000i-0967200000-26fe448f0d16af5d8229 |
| Source of Spectrum |
CD-509-0-0 |
| Synonyms |
Spirostan-3,6-diol, (3.beta.,5.alpha.,6.alpha.,25S)-
5.alpha.-Spirostan-3.beta.,6.alpha.-diol, (25S)-
Spirostan-3,6-diol
Neochlorogenin
Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirostan-3,6-diol deriv. |
| Wiley ID |
1382462 |
