stigmastanol-3beta-p-butanoxydihydrocoumaroate

ScientificNameLabel

stigmastanol-3beta-p-butanoxydihydrocoumaroate
PHCD compound ID :	1375
Chemical Names :	stigmastanol-3beta-p-butanoxydihydrocoumaroate
Molecular Formula :	C42H68O3
Molecular Weight :	620.516846

More Details :

Names & Synonyms:
Smiles:	CCCCOc1ccc(cc1)CCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)CC)C)C)C
InChi :	InChI=1S/C42H68O3/c1-8-10-27-44-34-17-12-31(13-18-34)14-22-40(43)45-35-23-25-41(6)33(28-35)16-19-36-38-21-20-37(42(38,7)26-24-39(36)41)30(5)11-15-32(9-2)29(3)4/h12-13,17-18,29-30,32-33,35-39H,8-11,14-16,19-28H2,1-7H3/t30-,32-,33+,35+,36+,37-,38+,39+,41+,42-/m1/s1
InChi Key :	InChIKey=BWPGVSFBNQWUMW-NEMBLRHKSA-N
PubChem ID :

Rotatable bond count :	15	Rule of five :	2
Hydrogen bond acceptor count :	3	Ionization potential :	8.795575
Hydrogen bond donor count :	0	Electric dipole moment :	2.431
XLogP :	15.848	VDW volume :	678.130365
Molecular weight :	620.516846	HOMO-LUMO gap :	8.981000

Herb list :

Rice - Oryza sativa - برنج

Refrences & Litretures:


146. Journal:'Phytochem. Anal' Year:'2006' Volume:'17' Page:'36' DOI:'10.1002/pca.879' Title:'Chemical Constituents of Rice (Oryza sativa) Hulls and their Herbicidal Activity against Duckweed (Lemna paucicostata Hegelm 381)'

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