| SpectraBase Spectrum ID |
5iiK0RiiU5c |
| Name |
acetic acid [(5R,7R,8R,9R,10R,13S,17S)-17-[(3aS,7S,8aR)-2,2,4,4-tetramethyl-6,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-e]oxepin-7-yl]-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester |
| Compound Number |
9 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C35H52O6 |
| InChI |
InChI=1S/C35H52O6/c1-20(36)39-28-18-26-30(2,3)27(37)14-16-34(26,9)25-13-15-33(8)22(11-12-24(33)35(25,28)10)21-17-23-29(31(4,5)38-19-21)41-32(6,7)40-23/h12,14,16,21-23,25-26,28-29H,11,13,15,17-19H2,1-10H3/t21-,22+,23-,25-,26+,28-,29+,33+,34-,35+/m1/s1 |
| InChIKey |
NTCCIGBTUHYGKZ-RZTZTKHISA-N |
| Literature Reference Author |
K.MITSUI,H.SAITO,R.YAMAMURA,H.FUKAYA,Y.HITOTSUYANAGI,K.TAKEY
A |
| Literature Reference Citation |
CHEM.PHARM.BULL.,55,1442(2007) |
| Literature Reference DOI |
10.1248/cpb.55.1442 |
| Molecular Weight |
568.794 g/mol |
| Sample ID |
33461 |
| Solvent |
CDCl3 |
![acetic acid [(5R,7R,8R,9R,10R,13S,17S)-17-[(3aS,7S,8aR)-2,2,4,4-tetramethyl-6,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-e]oxepin-7-yl]-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester](/api/spectrum/5iiK0RiiU5c/structure.png?h=300&w=458 "acetic acid [(5R,7R,8R,9R,10R,13S,17S)-17-[(3aS,7S,8aR)-2,2,4,4-tetramethyl-6,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-e]oxepin-7-yl]-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester")
