(E)-Guggulsterone

CAS

39025-24-6

Catalog Number

ACM39025246

Category

Steroidal Compounds

Molecular Weight

312.45

Molecular Formula

C₂₁H₂₈O₂

MSDS COA Spec Sheet

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Specification

Synonyms

TRANS-GUGGULSTERONE; Z-guggulsterone; GUGGULSTERONE; (17E)-Pregna-4,17(20)-diene-3,16-dione; GUGGULSTERONE E; Z-Guggulsteron; GUGGULESTERONE E; E-GUGGULSTERONE; GS,TRANS;

IUPAC Name

(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione

Canonical SMILES

CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChI Key

WDXRGPWQVHZTQJ-AUKWTSKRSA-N

Boiling Point

463.3ºC at 760 mmHg

Flash Point

172.3ºC

Density

1.1g/cm³

EC Number

609-606-5

Exact Mass

312.20900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of (E)-Guggulsterone?

The molecular formula of (E)-Guggulsterone is C21H28O2.

What is the molecular weight of (E)-Guggulsterone?

The molecular weight of (E)-Guggulsterone is 312.4 g/mol.

What is the IUPAC name of (E)-Guggulsterone?

The IUPAC name of (E)-Guggulsterone is (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione.

What is the InChI of (E)-Guggulsterone?

The InChI of (E)-Guggulsterone is InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1.

What is the InChIKey of (E)-Guggulsterone?

The InChIKey of (E)-Guggulsterone is WDXRGPWQVHZTQJ-AUKWTSKRSA-N.

What is the canonical SMILES of (E)-Guggulsterone?

The canonical SMILES of (E)-Guggulsterone is CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C.

What is the CAS number of (E)-Guggulsterone?

The CAS number of (E)-Guggulsterone is 39025-24-6.

What is the XLogP3-AA value of (E)-Guggulsterone?

The XLogP3-AA value of (E)-Guggulsterone is 3.9.

How many hydrogen bond donor counts does (E)-Guggulsterone have?

(E)-Guggulsterone has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does (E)-Guggulsterone have?

(E)-Guggulsterone has 2 hydrogen bond acceptor count.