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Ingredients

(3s,8s,9s,10r,13r,14s,17r)-17-[(1s,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

C29H50O

Entity Type
Ingredients
Relation Groups
2
Relation Preview
6

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3s,8s,9s,10r,13r,14s,17r)-17-[(1s,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C29H50O
Molecular Weight
No data
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Isomeric SMILES
CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
Oral Bioavailability
36.914
Drug Likeness
0.436
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient2 Herbs
01
半边莲
Ban Bian Lian / Herba Lobeliae Chinensis; Lobeliae Chinensis Herba
Ban Bian LianHerba Lobeliae Chinensis; Lobeliae Chinensis Herba
02
苍耳子
Cang Er Zi / Xanthii Fructus; Fructus Xanthii
Cang Er ZiXanthii Fructus; Fructus Xanthii