(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Modify Date: 2024-01-29 18:52:59

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid structure	Common Name	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
	CAS Number	117585-05-4	Molecular Weight	748.94000
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₁H₆₄O₁₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Molecular Formula	C₄₁H₆₄O₁₂
Molecular Weight	748.94000
Exact Mass	748.44000
PSA	192.44000
LogP	3.72930
InChIKey	OPTUUKHEYUERDZ-BNYPRUPSSA-N
SMILES	CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(=O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

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(4aS,6aR,6aS,6b...

CAS#:117585-05-4

Literature: Qian, Shan; Hai Li, Jiao; Wei Zhang, Yu; Chen, Xin; Wu, Yong Journal of Asian Natural Products Research, 2010 , vol. 12, # 1 p. 20 - 29

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CAS#:117585-05-4

Literature: Kawai; Kuroyanagi; Umehara; Ueno; Satake Chemical and pharmaceutical bulletin, 1988 , vol. 36, # 12 p. 4769 - 4775

Names