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(3R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-isopropyl-enanthic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(3R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-isopropyl-enanthic acid ethyl ester
SpectraBase Compound ID 2KRJz7lgKDg
InChI InChI=1S/C33H54O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h12,21-22,24-26,28-30H,8-11,13-20H2,1-7H3/t22-,24-,25+,26+,28-,29+,30+,32+,33-/m1/s1
InChIKey RJJQHRZOIGYGCL-STNNSDNISA-N
Mol Weight 514.8 g/mol
Molecular Formula C33H54O4
Exact Mass 514.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmhF5RmyYk
Name (3R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-isopropyl-enanthic acid ethyl ester
Alternate Name(s) (3R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptanoic acid ethyl ester Ethyl (3R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-isopropyl-heptanoate Ethyl (3R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-yl-heptanoate
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Formula C33H54O4
InChI InChI=1S/C33H54O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h12,21-22,24-26,28-30H,8-11,13-20H2,1-7H3/t22-,24-,25+,26+,28-,29+,30+,32+,33-/m1/s1
InChIKey RJJQHRZOIGYGCL-STNNSDNISA-N
Molecular Weight 514.791 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CC[C@](CC(=O)OCC)(C(C)C)[H])(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H]
SPLASH splash10-0nmi-0091620000-388f4dd35f20b2ab0757
Source of Spectrum F-42-4846-5
Wiley ID 1401229