Isocucurbitacin B

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For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7131

CAS

17278-28-3

Product Name

Isocucurbitacin B

Structure

Product Details

Description

Isocucurbitacin B is a natural compound isolated from the herbs of Cucumis melo.

Synonyms

Isocucurbitacin B; 17278-28-3; [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; NSC106400; 2-EPICUCURBITICIN B; CUCURBITCIN B,2-EPI-; SCHEMBL10307348; DTXSID101316518; HY-N4189; AKOS040760471; NSC-106400; CS-0032382

IUPAC Name

[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

Molecular Weight

558.712

Molecular Formula

C32H46O8

Canonical SMILES

CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(=O)C(C4(C)C)O)C)C)C)O)O

InChI

InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19,21-22,25-26,35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1

InChIKey

WTBZNVRBNJWSPF-DZEACCAPSA-N

Purity

98.0%

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