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Ingredients

(25r)-spirost-5-en-3beta-ol acetate

C29H44O4

Entity Type
Ingredients
Relation Groups
2
Relation Preview
3

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(25r)-spirost-5-en-3beta-ol acetate
Molecular Formula
C29H44O4
Molecular Weight
No data
Canonical SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1
Isomeric SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1
InChI
InChI=1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
Oral Bioavailability
11.582
Drug Likeness
0.344
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
胡芦巴
Hu Lu Ba / Semen Trigonellae; Trigonellae Semen
Hu Lu BaSemen Trigonellae; Trigonellae Semen