CAS 13159-28-9 | Lup-20(29)-en-28-al, 3-hydroxy-, (3β)- | CAS Number 13159-28-9

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13159-28-9 | Lup-20(29)-en-28-al, 3-hydroxy-, (3β)-

CAS No: 13159-28-9 Catalog No: AG000ZGY MDL No:MFCD12407180

Product Description

Catalog Number:

AG000ZGY

Chemical Name:

Lup-20(29)-en-28-al, 3-hydroxy-, (3β)-

CAS Number:

13159-28-9

Molecular Formula:

C30H48O2

Molecular Weight:

440.7009

MDL Number:

MFCD12407180

IUPAC Name:

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde

InChI:

InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1

InChI Key:

FELCJAPFJOPHSD-ROUWMTJPSA-N

SMILES:

O=C[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=C)C

Properties

Complexity:

814

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

440.365g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

440.712g/mol

Monoisotopic Mass:

440.365g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.1

Literature

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Antifungal metabolites from the roots of Diospyros virginiana by overpressure layer chromatography.	Chemistry & biodiversity 20111201
Triterpene derivatives that inhibit human immunodeficiency virus type 1 replication.	Bioorganic & medicinal chemistry letters 20110101
Phenylpropanoids from the stem bark of Jacaranda mimosaefolia.	Natural product research 20110101
Synergistic antimicrobial activity between pentacyclic triterpenoids and antibiotics against Staphylococcus aureus strains.	Annals of clinical microbiology and antimicrobials 20110101
An anti-influenza component of the bark of Alnus japonica.	Archives of pharmacal research 20100301
Synthesis and anti-leishmanial activity of heterocyclic betulin derivatives.	Bioorganic & medicinal chemistry 20100215
C-Glucoside xanthone from the stem bark extract of Bersama engleriana.	Pharmacognosy research 20100101
Betulin-derived compounds as inhibitors of alphavirus replication.	Journal of natural products 20091101
Analysis of pentacyclic triterpenes by LC-MS. A comparative study between APCI and APPI.	Journal of mass spectrometry : JMS 20090101
alpha-Glucosidase inhibitory activity of triterpenoids from Cichorium intybus.	Journal of natural products 20080501
Lanostane-type triterpenoids from Diospyros discolor.	Chemical & pharmaceutical bulletin 20070601
Two new flavanone glycosides of Jasminum lanceolarium and their anti-oxidant activities.	Chemical & pharmaceutical bulletin 20070301
Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.	Chemical & pharmaceutical bulletin 20060401
Erythrocyte membrane modifying agents and the inhibition of Plasmodium falciparum growth: structure-activity relationships for betulinic acid analogues.	Bioorganic & medicinal chemistry 20040102
Differentiation- and apoptosis-inducing activities by pentacyclic triterpenes on a mouse melanoma cell line.	Journal of natural products 20020501
Cytotoxic activity of moronic acid and identification of the new triterpene 3,4-seco-olean-18-ene-3,28-dioic acid from Phoradendron reichenbachianum.	Planta medica 20010701
Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase.	Lipids 20010501