Nigranoic acid
-
Nigranoic acid
structure -
-
CAS No:
39111-07-4
-
Formula:
C30H46O4
-
Chemical Name:
Nigranoic acid
-
Synonyms:
1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid,7-[(1R,4Z)-5-carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-,(3S,3aR,4aS,6aR,7R,9aS,9bS)-;9,19-Cyclo-3,4-secolanosta-4(28),24-diene-3,26-dioic acid,(24Z)-;1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid,7-[(1R,4Z)-5-carboxy-1-methyl-4-hexenyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-,(3S,3aR,4aS,6aR,7R,9aS,9bS)-;(3S,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1R,4Z)-5-Carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid;Nigranoic acid;1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid,7-(5-carboxy-1-methyl-4-hexenyl)decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-,[3S-[3α,3aβ,4aR*,6aα,7α(1S*,4Z),9aβ,9bα]]-
-
CAS No:
Description
Nigranoic acid is a tetracyclic triterpenoid that is 3,4-secocycloarta-4(28),24-(Z)-diene substituted by carboxy groups at positions 3 and 26. Isolated from Schisandra henryi and Schisandra propinqua, it exhibits cytotoxic and anti-HIV activities. It has a role as a metabolite, an antineoplastic agent and a HIV-1 reverse transcriptase inhibitor. It is a tetracyclic triterpenoid and a dicarboxylic acid.
Computed Properties
Molecular Weight:470.7
XLogP3:8.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:470.33960994
Monoisotopic Mass:470.33960994
Topological Polar Surface Area:74.6
Heavy Atom Count:34
Complexity:904
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8
Request for Quotation