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Ingredients

[(3s,4ar,6ar,6ar,6br,8ar,12s,12ar,14ar,14br)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate

C32H52O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
6

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
[(3s,4ar,6ar,6ar,6br,8ar,12s,12ar,14ar,14br)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
Molecular Formula
C32H52O2
Molecular Weight
No data
Canonical SMILES
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C
Isomeric SMILES
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)OC(=O)C)C
InChI
InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
Oral Bioavailability
43.075
Drug Likeness
0.284
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 ingredient5 Herbs
01
佩兰
Pei Lan / Herba Eupatorii; Eupatorii Herba
Pei LanHerba Eupatorii; Eupatorii Herba
03
蒲公英
Pu Gong Ying / Herba Taraxaci; Taraxaci Herba
Pu Gong YingHerba Taraxaci; Taraxaci Herba
05
鹅不食草
E Bu Shi Cao / Centipedae Herba; Herba Centipedae
E Bu Shi CaoCentipedae Herba; Herba Centipedae