17A(H),21SS(H)-30-NORHOPAN

CAS

53584-60-4

Catalog Number

ACM53584604

Category

Main Products

Molecular Weight

398.7

Molecular Formula

C29H50

MSDS COA Spec Sheet

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Specification

Synonyms

A'-Neo-30-norgammacerane,(17a)-
(17alpha)-29-Norhopane

What is the molecular formula of the compound?

The molecular formula of the compound is C29H50.

What are the synonyms of the compound?

The synonyms of the compound are A'-Neo-30-norgammacerane and (17alpha)-A'-Neo-30-norgammacerane.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C29H50/c1-8-20-12-17-26(4)21(20)13-18-28(6)23(26)10-11-24-27(5)16-9-15-25(2,3)22(27)14-19-29(24,28)7/h20-24H,8-19H2,1-7H3/t20-,21+,22-,23+,24+,26-,27-,28+,29+/m0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is XKJROQIFLGXWEY-RWRWHMSNSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCC1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C.

What is the CAS number of the compound?

The CAS number of the compound is 53584-60-4.

What is the molecular weight of the compound?

The molecular weight of the compound is 398.7 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 11.2.

How many rotatable bonds does the compound have?

The compound has 1 rotatable bond.