Trigonothyrin D

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1374

CAS

1254956-09-6

Product Name

Trigonothyrin D

Structure

Product Details

Description

Trigonothyrin D is an innovative natural compound realising precise receptor interactions within the intricate milieu of the thyrocytes.

Synonyms

(pentaacetoxy-hydroxy-isopropenyl-trimethyl-[?]yl) benzoate; Trigonothyrin D; AKOS040762806; (2S,3S,3aR,4R,5R,6S,6aS,7R,8S,9S,10R,10aR,10bS)-3,4,6,7,9-Pentakis(acetyloxy)-10a-hydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)dodecahydro-1H-3a,5-epoxybenzo[e]azulen-8-yl benzoate; 1254956-09-6

IUPAC Name

[(2S,3S,5S,6R,7R,8S,9S,10R,11S,12S,15R)-2,8,10,12,15-pentaacetyloxy-6-hydroxy-3,7,13-trimethyl-9-prop-1-en-2-yl-14-oxatetracyclo[11.1.1.01,5.06,11]pentadecan-9-yl] benzoate

Molecular Weight

714.75

Molecular Formula

C37H46O14

Canonical SMILES

CC1CC2C3(C(C(C(C(C3C(C4(C(C2(C1OC(=O)C)O4)OC(=O)C)C)OC(=O)C)OC(=O)C)(C(=C)C)OC(=O)C5=CC=CC=C5)OC(=O)C)C)O

InChI

InChI=1S/C37H46O14/c1-17(2)36(50-32(43)25-14-12-11-13-15-25)29(46-21(6)39)19(4)35(44)26-16-18(3)28(45-20(5)38)37(26)33(49-24(9)42)34(10,51-37)30(47-22(7)40)27(35)31(36)48-23(8)41/h11-15,18-19,26-31,33,44H,1,16H2,2-10H3/t18-,19+,26-,27-,28-,29-,30-,31+,33+,34?,35-,36-,37?/m0/s1

InChIKey

LBHUCMJWTBGOHY-VVYPHSPESA-N

Boiling Point

712.6±60.0 °C at 760 mmHg

Purity

98%

Density

1.32±0.1 g/cm3

Color

Yellow

Form

Powder

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