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Ingredients

(3s,6r,8s,9s,10r,13r,14s,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol

C29H50O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
3

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3s,6r,8s,9s,10r,13r,14s,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol
Molecular Formula
C29H50O2
Molecular Weight
No data
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4=CC(CCC34C)O)O)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]2C[C@H](C4=C[C@H](CC[C@]34C)O)O)C)C(C)C
InChI
InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-25,27,30-31H,7-15,17H2,1-6H3/t19-,20+,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1
Oral Bioavailability
34.368
Drug Likeness
0.446
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 ingredient1 Herbs
01
椿皮
Chun Pi / Ailanthi Cortex; Cortex Ailanthi
Chun PiAilanthi Cortex; Cortex Ailanthi