Triptocalline A

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6351

CAS

201534-10-3

Product Name

Triptocalline A

Structure

Product Details

Description

Triptocalline A is a natural compound isolated from the roots of Tripterygium wilfordii Hook.f.

Synonyms

Triptocalline A; 201534-10-3; (2R,4S,4aR,6aS,6aR,6bS,11S,12aS,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione; SCHEMBL22861904; ZINC40378969

IUPAC Name

(2R,4S,4aR,6aS,6aR,6bS,11S,12aS,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

Molecular Weight

442.64

Molecular Formula

C28H42O4

Canonical SMILES

CC1CC2C(CCC3(C2(CCC4(C3CCC5=C(C(=O)C(CC54)O)C)C)C)C)(C(C1=O)O)C

InChI

InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3/t15-,18-,19+,20+,21-,24-,25+,26-,27-,28+/m1/s1

InChIKey

UUGCGHAFZPEHIC-OIOGIDCRSA-N

Boiling Point

579.8±50.0 °C(Predicted)

Density

1.16±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

12.66±0.70(Predicted)

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