2-methyl 4a-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylate | C48H76O21 | MFCD29049459 | COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 43365, 43365-0.25G, A999888, AA00FF4P, AG00FF7H, AH19349, AR00FFWH, ArZ-UP480965, CFN90657, CSC159262727, E214770, FE145235, HY-N2205, LN04688473, M18970, MS-31843, T3S1641, U106108, Y1255842, ZX-CY002741, ZXC191456 | Chemspace

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Home CSCS00159262727

Structure Info

Chemspace ID: CSCS00159262727 (Synthesis)

MFCD: MFCD29049459

IUPAC Name: 2-methyl 4a-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylate

Mol formula: C₄₈H₇₆O₂₁

Mol weight: 989 Da

Catalog Number(s): 43365, 43365-0.25G, A999888, AA00FF4P, AG00FF7H, AH19349, AR00FFWH, ArZ-UP480965, CFN90657, CSC159262727, E214770, FE145235, HY-N2205, LN04688473, M18970, MS-31843, T3S1641, U106108, Y1255842, ZX-CY002741, ZXC191456

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: -1.6

Heavy atoms count: 69

Rotatable bond count: 12

Number of rings: 8

Carbon bond saturation, Fsp3: 0.916

Polar surface area (Å): 342

Hydrogen bond acceptors count: 19

Hydrogen bond donors count: 12

: Zoom the structure; CSCS00159262727

Items Overall 8 items from 4 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, €	Qty
Angene US	10 days	United States To:	95	1 mg	63	Go to cart Enquire
Angene US	10 days	United States To:	95	20 mg	124	Go to cart Enquire
Description: esculentoside H; CAS: 66656-92-6
Key Organics Limited (BIONET)	10 days	United Kingdom To:	97	5 mg	285	Go to cart Enquire
Key Organics Limited (BIONET)	10 days	United Kingdom To:	97	10 mg	446	Go to cart Enquire
Astatech CN	40 days	China To:	95	250 mg	541	Go to cart Enquire
Astatech CN	40 days	China To:	95	1 g	1,352	Go to cart Enquire
Description: ESCULENTOSIDE H; CAS: 66656-92-6
Molnova Chemicals	TBD	United States To:	98	5 mg	122	Go to cart Enquire
Molnova Chemicals	TBD	United States To:	98	10 mg	201	Go to cart Enquire
Description: Esculentoside H; CAS: 66656-92-6

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