(1R,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,51R,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,51,55,56,58-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2¹¹,¹⁴.2²²,²⁵.1³⁴,³⁸.0¹,⁴⁶.0⁴,⁹.0²⁷,³².0³⁷,⁴².0⁴⁵,⁵³]octapentacont-44-ene-2,16,20-trione | C63H98O30 | MFCD28009144 | C[C@@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O | 42841, 42841-0.25G, 9453AL, AG008TNB, AGN-PC-0P84YJ, ArZ-UP481222, CD31004454, CFN90915, CSC159262597, S9433, ZX-CY002998 | Chemspace

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Home CSCS00159262597

Structure Info

Chemspace ID: CSCS00159262597 (Synthesis)

MFCD: MFCD28009144

IUPAC Name: (1R,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,51R,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,51,55,56,58-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2¹¹,¹⁴.2²²,²⁵.1³⁴,³⁸.0¹,⁴⁶.0⁴,⁹.0²⁷,³².0³⁷,⁴².0⁴⁵,⁵³]octapentacont-44-ene-2,16,20-trione

Mol formula: C₆₃H₉₈O₃₀

Mol weight: 1335 Da

Catalog Number(s): 42841, 42841-0.25G, 9453AL, AG008TNB, AGN-PC-0P84YJ, ArZ-UP481222, CD31004454, CFN90915, CSC159262597, S9433, ZX-CY002998

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: -2.82

Heavy atoms count: 93

Rotatable bond count: 4

Number of rings: 11

Carbon bond saturation, Fsp3: 0.92

Polar surface area (Å): 465

Hydrogen bond acceptors count: 27

Hydrogen bond donors count: 15

: Zoom the structure; CSCS00159262597

Items Overall 4 items from 3 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Selleck Chemicals GmbH	10 days	Germany To:	97	1 mg	162	Go to cart Enquire
Description: CAS: 115810-12-3
Astatech CN	40 days	China To:	95	250 mg	634	Go to cart Enquire
Astatech CN	40 days	China To:	95	1 g	1,583	Go to cart Enquire
Description: TUBEIMOSIDE II; CAS: 115810-12-3
Crysdot LLC	TBD	United States To:	95	1 g	POA	Go to cart Enquire
Description: CAS: 115810-12-3

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