 Home > Encyclopedia > (3S,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure

CAS No:
126026-57-1
Formula:
C28H46O2
Chemical Name:
(3S,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:
Glycine Hyodeoxycholate; Glykohyodesoxycholsaeure; n-[(3|A,5|A,6|A)-3,6-dihydroxy-24-oxocholan-24-yl]glycine; (4aS,6aS,6bR,10S,12aR)-methyl 10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate; Glycylhyodeoxycholic Acid; acetyloleanolic acid methyl ester; Glycohyodeoxycholic acid;Expand

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(3S,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes

Molecular Weight：

414.66400

Exact Mass：

414.349780706 g/mol

Characteristics

PSA：

40.46000

XLogP3：

6.52720

Density：

1.03g/cm3

Boiling Point：

528.7ºC at 760 mmHg

Flash Point：

219.4ºC

Refractive Index：

1.54

Vapor Pressure：

2.18E-13mmHg at 25°C

Computed Properties

Molecular Weight:414.7
XLogP3:7.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:414.349780706
Monoisotopic Mass:414.349780706
Topological Polar Surface Area:40.5
Heavy Atom Count:30
Complexity:678
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Basic Attributes
Characteristics
Computed Properties

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