Cylindrin

CAS

17904-55-1

Catalog Number

ACM17904551

Category

Main Products

Molecular Weight

440.751

Molecular Formula

C₃₁H₅₂O

MSDS COA Spec Sheet

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Specification

Synonyms

Arborinol methyl ether;(8β,13β,14α,17β,18α,21β)-3β-Methoxy-D:C-friedo-B:A-neogammacer-9(11)-ene;Cylindrin

IUPAC Name

(3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene

Canonical SMILES

CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C

InChI Key

MRNPHCMRIQYRFU-UWAWSDATSA-N

Boiling Point

484.9ºC at 760mmHg

Flash Point

248.4ºC

Density

0.98g/cm³

Exact Mass

440.40200

What is the molecular formula of Cylindrin?

The molecular formula of Cylindrin is C31H52O.

What are the synonyms for Cylindrin?

The synonyms for Cylindrin include (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene, SCHEMBL3679265, CHEBI:81166, and more.

What is the molecular weight of Cylindrin?

The molecular weight of Cylindrin is 440.7 g/mol.

Is Cylindrin a natural product?

Yes, Cylindrin is a natural product found in Diospyros nigra, Diospyros blancoi, and other organisms.

What is the IUPAC name of Cylindrin?

The IUPAC name of Cylindrin is (3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene.

What is the InChI of Cylindrin?

The InChI of Cylindrin is InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1.

What is the InChIKey of Cylindrin?

The InChIKey of Cylindrin is MRNPHCMRIQYRFU-UWAWSDATSA-N.

What is the canonical SMILES of Cylindrin?

The canonical SMILES of Cylindrin is CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C.

What is the CAS number of Cylindrin?

The CAS number of Cylindrin is 17904-55-1.

What is the molecular weight of Cylindrin according to PubChem?

The molecular weight of Cylindrin is 440.7 g/mol, computed by PubChem 2.1.