Heterobetulin

CAS

508-81-6

Catalog Number

ACM508816

Category

Steroidal Compounds

MSDS COA Spec Sheet

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What is the molecular formula of Heterobetulin?

The molecular formula of Heterobetulin is C30H50O3.

What is the synonym of Heterobetulin?

The synonym of Heterobetulin is Heliantriol B0.

What is the molecular weight of Heterobetulin?

The molecular weight of Heterobetulin is 458.7 g/mol.

What is the IUPAC name of Heterobetulin?

The IUPAC name of Heterobetulin is (3S,6aR,6aR,6bR,8S,8aS,12S,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol.

What is the InChI of Heterobetulin?

The InChI of Heterobetulin is InChI=1S/C30H50O3/c1-18-10-15-30(17-31)24(33)16-29(7)20(25(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h10,19-25,31-33H,8-9,11-17H2,1-7H3/t19-,20-,21?,22?,23+,24+,25?,27+,28-,29-,30+/m1/s1.

What is the InChIKey of Heterobetulin?

The InChIKey of Heterobetulin is SAJCKXGPHBRCAY-GFNMRPMFSA-N.

What is the canonical SMILES of Heterobetulin?

The canonical SMILES of Heterobetulin is CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)CO)O)C)C)(C)C)O)C.

How many hydrogen bond donor count does Heterobetulin have?

Heterobetulin has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of Heterobetulin?

The XLogP3-AA value of Heterobetulin is 6.9.

Is Heterobetulin's compound canonicalized?

Yes, Heterobetulin's compound is canonicalized.

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