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(6R)-2-methyl-6-[(3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-heptanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(6R)-2-methyl-6-[(3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-heptanone
SpectraBase Compound ID 9hwhyYuBE4D
InChI InChI=1S/C27H44O4/c1-15(2)21(29)9-6-16(3)20-13-22(30)24-19-8-7-17-12-18(28)10-11-26(17,4)25(19)23(31)14-27(20,24)5/h7,15-16,18-20,22-25,28,30-31H,6,8-14H2,1-5H3/t16-,18+,19+,20-,22-,23-,24-,25-,26+,27-/m1/s1
InChIKey SWEXUDPWVQITIV-GIWSUMSBSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nm04mdCTh1
Name (6R)-2-Methyl-6-[(3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-yl]-3-heptanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-15(2)21(29)9-6-16(3)20-13-22(30)24-19-8-7-17-12-18(28)10-11-26(17,4)25(19)23(31)14-27(20,24)5/h7,15-16,18-20,22-25,28,30-31H,6,8-14H2,1-5H3/t16-,18+,19+,20-,22-,23-,24-,25-,26+,27-/m1/s1
InChIKey SWEXUDPWVQITIV-GIWSUMSBSA-N
Molecular Weight 432.645 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3([C@@](C2)(O)[H])[H])(CC[C@](O)(C4)[H])C)[H])([C@](O)(C[C@@]1([C@@](CCC(=O)C(C)C)(C)[H])[H])[H])[H])C