COMPOUND: C08834
Help
Entry
C08834 Compound
Name
Polypodine B;
2beta,3beta,5beta,14,20,22R,25-Heptahydroxycholest-7-en-6-one
Formula
C27H44O8
Exact mass
496.3036
Mol weight
496.6335
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C08834 Polypodine B
Phytochemical compounds [BR:
br08003
]
Terpenoids
Steroids
Cholestane
C08834 Polypodine B
BRITE hierarchy
Other DBs
CAS:
18069-14-2
PubChem:
11027
ChEBI:
28485
LIPIDMAPS:
LMST01010198
KNApSAcK:
C00003666
3DMET:
B02444
NIKKAJI:
J16.060A
LinkDB
All DBs
KCF data
Show
ATOM 35
1 C1z C 22.7149 -21.3283
2 C2y C 21.5285 -22.0062
3 C1z C 22.6622 -19.9608
4 C1x C 25.0876 -21.3576
5 O1a O 22.7031 -22.7019
6 C1y C 20.3421 -21.3166
7 C2x C 21.5285 -23.3798
8 C1y C 23.9304 -19.2887
9 C1x C 21.5519 -19.2594
10 C1a C 22.6507 -18.5815
11 C1x C 25.0351 -19.9901
12 C1z C 19.1496 -21.9945
13 C1x C 20.3538 -19.9433
14 C5x C 20.3304 -24.0694
15 C1d C 23.9364 -17.9095
16 C1z C 19.2140 -23.3738
17 C1x C 17.9633 -21.3108
18 C1a C 19.1323 -20.6154
19 O5x O 20.3127 -25.4427
20 C1c C 25.1228 -17.2315
21 C1a C 22.7383 -17.2255
22 O1a O 23.9304 -16.5360
23 C1x C 17.9633 -24.0635
24 O1a O 19.1965 -24.7414
25 C1y C 16.7595 -21.9945
26 C1b C 26.3149 -17.9212
27 O1a O 25.1168 -15.8581
28 C1y C 16.7595 -23.3738
29 O1a O 15.5731 -21.3108
30 C1b C 27.5014 -17.2433
31 O1a O 15.5731 -24.0635
32 C1d C 28.6877 -17.9270
33 C1a C 29.8858 -17.2433
34 O1a O 29.8800 -18.6165
35 C1a C 28.6877 -19.2945
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 12 16 1
16 12 17 1
17 12 18 1 #Up
18 14 19 2
19 15 20 1
20 15 21 1 #Down
21 15 22 1 #Up
22 16 23 1
23 16 24 1 #Up
24 17 25 1
25 20 26 1
26 20 27 1 #Down
27 23 28 1
28 25 29 1 #Up
29 26 30 1
30 28 31 1 #Up
31 30 32 1
32 32 33 1
33 32 34 1
34 32 35 1
35 8 11 1
36 9 13 1
37 14 16 1
38 25 28 1
» Japanese version
DBGET
integrated database retrieval system