data_2005011
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1574
_journal_page_last     1576
_publ_section_title
;
The New Pentacyclic Saponine Ecdysantherin
[3\b-Hydroxy-20-methylpregn-5,14-dien-16-one-(18--20)-lactone]
from Ecdysanthera rosea Hook. et Arn. (Apocynaceae) of Vietnam
;
_chemical_formula_moiety     'C21 H26 O4'
_chemical_formula_sum     'C21 H26 O4'
_chemical_formula_weight     342.42
_symmetry_cell_setting    'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
_symmetry_space_group_name_H-M     'P 21 21 21'
_cell_length_a     6.0860(10)
_cell_length_b     11.9900(10)
_cell_length_c     23.831(2)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1739.0(4)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.308
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 1 -0.3079(9)  .8719(4)  .1236(2)  .0473(14)
H11 1 -0.3840(9)  .9374(4)  .1375(2)  .057
H12 1 -0.3681(9)  .8075(4)  .1429(2)  .057
C2 1 -0.3544(10)  .8600(5)  .0605(2)  .057(2)
H21 1 -0.2885(10)  .7918(5)  .0465(2)  .068
H22 1 -0.5116(10)  .8560(5)  .0542(2)  .068
C3 1 -0.2607(10)  .9585(5)  .0297(2)  .056(2)
H3 1 -0.3241(10) 1.0260(5)  .0463(2)  .067
O3 1 -0.3186(7)  .9574(5)  -.02858(14)  .0804(14)
H3O 1 -0.215(5)    .934(6)    -.0470(4)  .121
C4 1  -.0154(9)  .9637(5)  .0382(2)  .0516(15)
H41 1  .0426(9) 1.0289(5)  .0192(2)  .062
H42 1  .0520(9)  .8982(5)  .0216(2)  .062
C5 1  .0438(9)  .9692(4)  .1000(2)  .0410(12)
C6 1  .1818(9) 1.0463(4)  .1192(2)  .0450(13)
H6 1  .2378(9) 1.0969(4)  .0933(2)  .054
C7 1  .2544(9) 1.0589(3)  .1784(2)  .0418(12)
H71 1  .1847(9) 1.1241(3)  .1947(2)  .050
H72 1  .4121(9) 1.0703(3)  .1794(2)  .050
C8 1  .1955(8)  .9556(4)  .2133(2)  .0349(11)
H8 1  .2892(8)  .8940(4)  .2007(2)  .042
C9 1  -.0441(8)  .9237(4)  .2010(2)  .0380(12)
H9 1 -0.1310(8)  .9923(4)  .2038(2)  .046
C10 1  -.0629(9)  .8821(4)  .1384(2)  .0392(13)
C11 1 -0.1406(10)  .8409(4)  .2436(2)  .0424(13)
H111 1  -.0722(10)  .7685(4)  .2386(2)  .051
H112 1 -0.2970(10)  .8326(4)  .2369(2)  .051
C12 1 -0.1032(8)  .8811(4)  .3045(2)  .0422(13)
H121 1 -0.1772(8)  .9519(4)  .3100(2)  .051
H122 1 -0.1667(8)  .8276(4)  .3304(2)  .051
C13 1  .1406(8)  .8947(4)  .3174(2)  .0363(11)
C14 1  .2405(8)  .9747(4)  .2744(2)  .0358(11)
C15 1  .3638(9) 1.0537(4)  .2988(2)  .0430(12)
H15 1  .4377(9) 1.1100(4)  .2797(2)  .052
C16 1  .3650(9) 1.0385(4)  .3595(2)  .0458(13)
O16 1  .4794(8) 1.0886(3)  .39348(14)  .0667(13)
C17 1  .2012(9)  .9470(4)  .3743(2)  .0404(12)
H17 1  .0711(9)  .9782(4)  .3928(2)  .048
C18 1  .2679(9)  .7858(4)  .3180(2)  .0441(12)
O18 1  .2905(7)  .7213(3)  .27969(14)  .0572(10)
C19 1  .0528(10)  .7691(4)  .1293(2)  .0509(14)
H191 1  -.017(4)    .7131(7)  .1520(11)  .076
H192 1  .2046(16)  .7754(8)  .1399(13)  .076
H193 1  .043(5)    .7484(14)  .0905(3)  .076
C20 1  .3012(11)  .8527(4)  .4094(2)  .052(2)
H20 1  .4318(11)  .8799(4)  .4292(2)  .063
C21 1  .1440(12)  .8010(5)  .4505(2)  .071(2)
H211 1  .109(6)    .8541(13)  .4793(10)  .106
H212 1  .211(3)    .736(2)    .4672(13)  .106
H213 1  .012(3)    .779(3)    .4313(4)  .106
O20 1  .3649(7)  .7691(3)  .36790(14)  .0566(11)