Sitoindoside I

CAS

18749-71-8

Catalog Number

ACM18749718

Category

Main Products

Molecular Weight

815.3

Molecular Formula

C51H90O7

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

6-naphthalen-2-ylamino-1H-pyrimidine-2,4-dione;

IUPAC Name

[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate

Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O

InChI

InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1

InChI Key

JCLYMCVRBRHEHI-TWDDPRSNSA-N

Appearance

Powder

Exact Mass

814.66900

What is the molecular formula of Sitoindoside I?

The molecular formula of Sitoindoside I is C51H90O7.

What is the molecular weight of Sitoindoside I?

The molecular weight of Sitoindoside I is 815.3 g/mol.

What is the IUPAC name of Sitoindoside I?

The IUPAC name of Sitoindoside I is [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate.

What is the InChI of Sitoindoside I?

The InChI of Sitoindoside I is InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1.

What is the InChIKey of Sitoindoside I?

The InChIKey of Sitoindoside I is JCLYMCVRBRHEHI-TWDDPRSNSA-N.

What are the synonyms of Sitoindoside I?

The synonyms of Sitoindoside I are (3beta)-Stigmast-5-en-3-yl 6-O-palmitoyl-beta-D-glucopyranoside and Esterified Steryl Glucosides.

What is the CAS number of Sitoindoside I?

The CAS number of Sitoindoside I is 18749-71-8.

Where is Sitoindoside I found naturally?

Sitoindoside I is found naturally in Dracaena draco, Euphorbia guyoniana, and other organisms.

What is the ChEMBL ID of Sitoindoside I?

The ChEMBL ID of Sitoindoside I is CHEMBL4452244.

What is the role of Sitoindoside I in plants?

Sitoindoside I has a role as a plant metabolite.