3,4-seco-Olean-12-en-4-ol-3,28-dioic acid

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6585

CAS

182249-69-0

Product Name

3,4-seco-Olean-12-en-4-ol-3,28-dioic acid

Structure

Product Details

Description

3,4-seco-Olean-12-en-4-ol-3,28-dioic acid is a natural compound isolated from the roots of Ligularia intermedia.

Synonyms

3,4-seco-Olean-12-en-4-ol-3,28-dioicacid; 4-Hydroxy-3,4-secoolean-12-ene-3,28-dioic acid

Molecular Weight

488.709

Molecular Formula

C30H48O5

Canonical SMILES

CC1(CCC2(CCC3(C(=CCC4C3(CCC(C4(C)CCC(=O)O)C(C)(C)O)C)C2C1)C)C(=O)O)C

InChI

InChI=1S/C30H48O5/c1-25(2)14-16-30(24(33)34)17-15-28(6)19(20(30)18-25)8-9-22-27(5,12-11-23(31)32)21(26(3,4)35)10-13-29(22,28)7/h8,20-22,35H,9-18H2,1-7H3,(H,31,32)(H,33,34)/t20-,21-,22+,27-,28+,29+,30-/m0/s1

InChIKey

HBMBVLYBFSJKDN-FUAOEXFOSA-N

Boiling Point

617.6±25.0 °C(Predicted)

Melting Point

>250 °C

Density

1.14±0.1 g/cm3(Predicted)

Appearance

Powder

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