13H-Cyclopenta[a]phenanthrene, D:C-friedo-B':A'-neogammacer-9(11)-en-12-one deriv.

SpectraBase Compound ID	18UQlQohg6b
InChI	InChI=1S/C32H50O3/c1-19(2)21-10-13-25-30(21,7)16-17-31(8)22-11-12-24-28(4,5)27(35-20(3)33)14-15-29(24,6)23(22)18-26(34)32(25,31)9/h18-19,21-22,24-25,27H,10-17H2,1-9H3/t21-,22?,24?,25?,27+,29+,30-,31-,32-/m1/s1
InChIKey	BPPPHUNQHQJHQW-SJARNLESSA-N Google Search
Mol Weight	482.7 g/mol
Molecular Formula	C32H50O3
Exact Mass	482.375995 g/mol

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SpectraBase Spectrum ID	Jtlal8mtU9L
Name	13H-Cyclopenta[a]phenanthrene, D:C-friedo-B':A'-neogammacer-9(11)-en-12-one deriv.
CAS Registry Number	6090-32-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H50O3
InChI	InChI=1S/C32H50O3/c1-19(2)21-10-13-25-30(21,7)16-17-31(8)22-11-12-24-28(4,5)27(35-20(3)33)14-15-29(24,6)23(22)18-26(34)32(25,31)9/h18-19,21-22,24-25,27H,10-17H2,1-9H3/t21-,22?,24?,25?,27+,29+,30-,31-,32-/m1/s1
InChIKey	BPPPHUNQHQJHQW-SJARNLESSA-N
Molecular Weight	482.749 g/mol
SMILES	C=12[C@]3(C(C(C)(C)[C@](CC3)(OC(=O)C)[H])CCC2[C@]2(CC[C@]3(C([C@@]2(C(C1)=O)C)CC[C@@]3(C(C)C)[H])C)C)C
SPLASH	splash10-00lf-7413900000-c3839ed9cac3dc932b3f
Source of Spectrum	B-43-626-2
Synonyms	D:C-Friedo-B':A'-neogammacer-9(11)-en-12-one, 3-(acetyloxy)-, (3.beta.)- D:C-Friedo-B':A'-neogammacer-9(11)-en-12-one, 3.beta.-hydroxy-, acetate (3.beta.)-3-(acetyloxy)-D:C-friedo-B':A'-neo-gammacer-9(11)-en-12-one; (3R,3aR,5aR,9S,11aR,13aS)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-13-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl acetate 13H-cyclopenta[a]phenanthrene, D:C-friedo-B':A'-neo-gammacer-9(11)-en-12-one, der[ivative?]iv 3.beta.-acetoxy-fern-9(11)-en-12-one; Triterpene A;
Wiley ID	1395740