| SpectraBase Spectrum ID |
GNxje6OtbBr |
| Name |
5-Oxo-1,2,3,6b-tetrahydroxy-9-[1',5'-dimethyl-1',2'-dihydroxy-5'-acetoxyhexyl]-9a,11b-dimethyl-(perhydro)-.delta.(6,6a)-indano[1,2-e]naphthalene |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O9 |
| InChI |
InChI=1S/C29H46O9/c1-15(30)38-25(2,3)10-9-22(33)28(6,36)21-8-12-29(37)17-13-19(31)18-14-20(32)23(34)24(35)27(18,5)16(17)7-11-26(21,29)4/h13,16,18,20-24,32-37H,7-12,14H2,1-6H3/t16?,18?,20?,21?,22-,23?,24?,26?,27?,28-,29-/m1/s1 |
| InChIKey |
QMXDANIONYZQEX-QMYJWMJESA-N |
| Molecular Weight |
538.678 g/mol |
| SMILES |
O[C@@]([C@@](C1CC[C@]2(C=3C(C4(C(C(C(CC4C(C3)=O)O)O)O)C)CCC12C)O)(O)C)(CCC(OC(=O)C)(C)C)[H] |
| SPLASH |
splash10-01sl-5319000000-806e70742fb22abde6ca |
| Source of Spectrum |
X3-35-441-1 |
| Synonyms |
Aceticacid(4R,6R)-4,5-dihydroxy-1,1-dimethyl-5-((S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-hexylester
Intergristerone a-25-acetate |
| Wiley ID |
1691762 |
![5-Oxo-1,2,3,6b-tetrahydroxy-9-[1',5'-dimethyl-1',2'-dihydroxy-5'-acetoxyhexyl]-9a,11b-dimethyl-(perhydro)-.delta.(6,6a)-indano[1,2-e]naphthalene](/api/spectrum/GNxje6OtbBr/structure.png?h=300&w=458 "5-Oxo-1,2,3,6b-tetrahydroxy-9-[1',5'-dimethyl-1',2'-dihydroxy-5'-acetoxyhexyl]-9a,11b-dimethyl-(perhydro)-.delta.(6,6a)-indano[1,2-e]naphthalene")
